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⚗️ Metals 2492 ▶

▸ Metals — Platinum (109)

apoptosis (297)Pt (214)pt (24)ferroptosis (22)oxaliplatin (21)cisplatin (21)pyroptosis (7)necroptosis (6)transcription (6)carboplatin (5)transcription factors (5)transcriptional regulation (5)platinum (4)lead optimization (3)transcription regulation (3)metabolic adaptation (3)pt(ii) complexes (2)transcriptional regulatory interactions (2)ferroptosis induction (2)transcription initiation (2)transcription-coupled repair (2)adaptive binding (2)cellular adaptation (2)post-transcriptional regulation (2)pt(dach)methionine (1)transcription-coupled nucleotide excision repair (tc-ner) (1)triptolide (1)molecular optimization (1)pt(dach)cl4 (1)innate apoptotic immunity (1)pta (1)oligopeptides (1)transcription-coupled ner (1)ferroptosis suppressor protein 1 (fsp1) (1)apoptotic cells (1)platinumbased (1)hptab (1)signaling-transcriptional mechanisms (1)oncogene transcription inhibition (1)pt2 (1)admet optimization (1)receptor (1)pten (1)platinum(ii) (1)chain-of-thought prompt engineering (1)tetrapeptides (1)apoptotic function (1)adaptive immune response (1)gpt-2 (1)platinum drugs (1)ptii complex (1)platinum complexes (1)transcriptomics (1)cell metabolism disruption (1)peptide (1)pt(s,s-dab) (1)pt(r,r-dab) (1)pt3(hptab) (1)estrogen receptor (1)transcriptional addiction (1)transcription stress (1)septicemia (1)optical spectroscopies (1)receptors (1)selective serotonin reuptake inhibitors (ssri) (1)transcription-coupled nucleotide excision repair (1)pt(r,r-dach) (1)chiroptical response (1)diplatinum helicate (1)cyclometalated 1,3-bis(8-quinolyl) phenyl chloroplatinum(ii) (1)transcriptional activity (1)pt1 (1)disrupting a base pair (1)platinum-containing drugs (1)gpt-4 (1)transcriptional stalling (1)transcription inhibition (1)apoptotic (1)eukaryotic transcription (1)base pairing disruption (1)apoptosis-related disorders (1)coordination chemistry is not relevant, but bioinorganic and medicinal chemistry are related concepts (1)chatgpt (1)apoptosis induction (1)platinum(ii)-based (1)transcriptional activation (1)platinum-based compounds (1)inhibition of transcription factors (1)molecular descriptors (1)pt(dach)oxalato (1)polypeptide chains (1)pt(dach)cl2 (1)glp-1 receptor agonists (1)chiroptical applications (1)pt(s,s-dach) (1)cell-penetrating peptides (1)cysteine uptake (1)therapeutic optimization (1)shape description methods (1)transcription blockage (1)antiferroptotic (1)rna transcription (1)electronic absorption (1)cellular adaptation to hypoxia (1)ferroptosis suppressor protein 1 (1)apoptosis evasion (1)phosphopeptide-based kinome analysis (1)anti-apoptotic (1)gpt (1)

▸ Metals — Cobalt (185)

coordination-chemistry (102)Co (64)coordination chemistry (55)colorectal cancer (19)computational biology (7)spectroscopy (7)computational chemistry (6)computational modeling (6)pharmacology (6)co (5)pharmacovigilance (5)cryo-electron microscopy (4)glucose (4)colon cancer (4)metal complexes (4)glycolysis (4)oncology (4)pharmacokinetics (4)conformational change (3)glycocalyx (3)oncometabolite (3)complex i (3)oncosis (3)oncogenesis (2)polypharmacology (2)in-silico (2)plant secondary metabolites (2)computational approaches (2)in silico (2)convolutional neural networks (2)complex iii (2)natural compounds (2)pharmacodynamics (2)mitochondrial complex i (2)aerobic glycolysis (2)oncogene (2)covid-19 (2)microviscosity (1)pharmacometabolomics (1)complex formation (1)redox control (1)fatty alcohols (1)influence on physicochemical properties (1)fluorescence recovery after photobleaching (1)convolutional neural network (1)conditional lethality (1)picolinic acid (1)sars-cov-1 (1)metabolic control (1)pharmacological inhibition (1)pharmacokinetic (1)therapeutic controversy (1)multicolor emission (1)co2 fixation (1)protein complex (1)oncogenes (1)recombination (1)confocal microscopy (1)metal-ligand cooperation (1)cell surface recognition (1)sarcoma (1)network pharmacology (1)covalent interaction (1)escherichia coli (1)cobalamin (1)reversible compartmentalization (1)oncogene promoter regions (1)cellular compartments (1)coulometric karl fischer apparatus (1)combinatorial treatment (1)heme-containing enzymes (1)coimmunoprecipitation assay (1)glycosphingolipids (1)comorbidities (1)glycolytic activity (1)computational metabolomics (1)conformational isomerization (1)constitutive induction (1)confocal imaging (1)alcoholic hepatitis (1)knowledge discovery (1)oncogenic mutation (1)cobaltocene (1)coordination (1)computational approach (1)inorganic compounds (1)toxicology (1)conformational stability (1)connectivity mapping (1)mitochondrial uncoupling protein 2 (1)pharmacokinetic analyses (1)membrane permeability comparison (1)computer models (1)pathological conditions (1)dna condensation (1)4-octyl-itaconate (4-oi) (1)glucose dependence (1)cockayne's syndrome (1)atomic force microscope (1)complex diseases (1)dna conformational distortion (1)computational prediction (1)health economics (1)viscometry (1)conformational transitions (1)anticoagulant (1)glycome (1)oncogenic pathways (1)mitochondrial quality control (1)spin-orbit coupling (1)cytosolic ca21 concentration (1)cobamide (1)glycobiology (1)coimmunoprecipitation (1)dual protein expansion microscopy (1)brightfield microscopy (1)complexes (1)fluorescence recovery after photobleaching (frap) (1)glucose deprivation resistance (1)physicochemical properties (1)cell-like compartments (1)expansion microscopy (1)anticoagulants (1)ascorbic acid (1)oncogenic signaling (1)collective intelligence (1)cordycepin (1)genetic encoding (1)co2 (1)coupled-cluster computations (1)atp-competitive inhibitors (1)non-covalent interaction (1)computational methods (1)conformational states (1)conformational transition (1)electronic health records (1)sars-cov-2 (1)computational models (1)pharmacodynamic (1)text encoder (1)social cognition (1)sensory nerve conduction velocity (1)covalent binding (1)oncogene-mediated cellular transformation (1)fluorescence microscopy (1)glycolysis pathway (1)electronic conductometry (1)conformational landscapes (1)inductively coupled plasma mass spectrometry (1)itaconate (1)co(terpy)2+ (1)nmr spectroscopy (1)computational analysis (1)inductively coupled plasma mass spectrometer (1)coenzyme q10 (1)cell communication (1)colony formation assay (1)physico-chemical mechanisms (1)recognition (1)glycolytic enzymes (1)systems pharmacology (1)atomic force microscopy (1)computational methodologies (1)oncogenic (1)click expansion microscopy (1)glycosylation (1)n-(2-picolyl)salicylimine (1)ewing sarcoma (1)computational study (1)anticoagulation (1)confocal laser scanning microscopy (1)immuno-oncology (1)genome conformation profiling (1)somatic comorbidities (1)uv-vis spectroscopy (1)in silico analysis (1)co-immunoprecipitation (1)caco-2 cell monolayers (1)scoping review (1)conformational switch (1)damage recognition (1)entity recognition (1)energy conversion (1)noncovalent interactions (1)computer analysis (1)

▸ Metals — Iron (60)

Fe (186)fe (22)infection (16)iron (13)tumor microenvironment (8)cell proliferation (5)electron transfer (5)heme iron (5)proliferation (5)microenvironment (4)warburg effect (4)transfer learning (3)iron metabolism (3)differentiation (3)iron-sulfur clusters (3)cellular defense (2)viral infection (2)tumor immune microenvironment (2)cellular proliferation (2)viral infections (2)immuno-metabolic environment (2)proton transfer (2)legacy effect (1)tamoxifen (1)medication safety (1)iron-sulphur cluster (1)anticancer effects (1)rna interference (1)cellular defense mechanisms (1)cellular defence (1)electron transfer inhibition (1)interferonopathies (1)proton-coupled electron transfer (1)safety analyses (1)fes clusters (1)proliferation inhibition (1)fluorescence lifetime imaging microscopy (1)immunosuppressive microenvironment (1)effective growth rate (1)electron-transfer (1)tumour microenvironment (1)cellular and molecular life sciences (1)hydride transfer (1)nonheme high-spin feii species (1)infectious diseases (1)modulation of microenvironment (1)hypoxic microenvironment (1)ferredoxin (1)iron-sulfur proteins (1)cell defense (1)feedback loop (1)lysophosphatidylcholine acyltransferase 2 (1)origin of life (1)photoinduced electron transfer (1)osteogenic differentiation (1)quantitative features extraction (1)heme iron oxidation (1)synthetic life (1)heme iron center (1)adipogenic differentiation (1)

▸ Metals — Ruthenium (86)

Ru (41)drug discovery (27)drug-delivery (23)drug resistance (11)prodrug (9)drug-drug interactions (9)drugs (7)adverse drug reactions (7)structural biology (7)drug repurposing (6)drug delivery (5)drug (5)drug development (5)g-quadruplex dna (4)ru (4)protein structure (3)drug interactions (3)structural analysis (3)drug screening (3)drug-target interaction prediction (3)g-quadruplex (3)drug design (3)drug repositioning (2)metallodrugs (2)structural data (2)drug-target interaction (2)serum (1)structure-based virtual screening (1)recruitment (1)hexammineruthenium(iii) (1)drug testing (1)spectrum diagrams (1)drug therapy (1)drug safety monitoring (1)drug sensitivity and resistance testing (1)drug safety assessment (1)structure (1)structural insights (1)adverse drug reaction detection (1)drug sensitization (1)drug target (1)truncations (1)drug-drug interaction prediction (1)protein structure-function relationship (1)pyruvate (1)drug-drug interaction identification (1)phenotypic drug screening (1)spontaneous adverse drug reaction reports (1)structural basis (1)antiviral drug discovery (1)drug tolerance (1)green rust (1)structural modeling (1)small-molecule drugs (1)structural methods (1)drug-nutrient interactions (1)adverse drug events (1)computational drug discovery (1)metal-based drugs (1)structural rearrangement (1)protein structure analysis (1)virus (1)small-molecule oral drugs (1)targeted drug delivery (1)adverse drug reaction (1)chemical drugs (1)doxorubicin (1)drug resistance reduction (1)drug-likeness (1)drug interaction prediction (1)drug target identification (1)macromolecular structure determination (1)resorufin (1)drug interaction analysis (1)drug combinations (1)non-steroidal anti-inflammatory drugs (nsaids) (1)structural bioinformatics (1)structure prediction (1)drug response (1)drug interaction screening (1)ruthenium(ii)-based (1)drug detection (1)structure-function analysis (1)metal-based drug (1)protocellular structures (1)drug interaction identification (1)

▸ Metals — Copper (63)

Cu (80)supramolecular (17)molecular docking (8)cell culture (7)cardiovascular (6)molecular biology (5)acute myeloid leukemia (4)molecular dynamics (3)small molecules (3)molecular dynamics simulations (3)supramolecular chemistry (2)molecular modeling (2)molecular mechanisms (2)endoplasmic reticulum (2)quantum chemical calculations (2)circular dichroism (2)biomolecular condensates (2)cu (2)cell culture conditions (1)small molecule library screen (1)endoplasmic reticulum dilation (1)macromolecular engineering (1)neuromuscular disease (1)spinal muscular atrophy (1)data curation (1)small-molecule dyes (1)single molecule methods (1)ocular pathologies (1)tuberculosis (1)cullin-3-type ubiquitin ligase (1)cardiovascular diseases (1)cellular accumulation (1)molecular tailoring approach (1)cul3 (1)expert curation (1)macromolecule (1)copper (1)supermolecular (1)accumulation of oncometabolite (1)endoplasmic reticulum stress response (1)calculations (1)organotypic culture (1)curve fit (1)quantum theory of atoms in molecules (qtaim) (1)molecular profiling (1)biophysical cues (1)molecular targets (1)molecular neuroscience (1)molecular generation (1)oncometabolite accumulation (1)biocuration (1)molecular mechanism (1)enzyme curation (1)small molecule compounds (1)metallo-supramolecule (1)dopaminergic circuits (1)2d culture (1)wave function calculations (1)molecular simulations (1)molecular classification (1)small molecule (1)molecular topology (1)cuprotosis (1)

▸ Metals — Gold (19)

Au (57)autophagy (43)auranofin (2)autoimmune diseases (2)au (2)autoimmune conditions (2)autoencoders (1)mössbauer spectroscopy (1)gaussian 09 (1)autism (1)automated extraction (1)retrieval-augmented generation (1)mössbauer (1)mössbauer spectroscopies (1)genotype authentication (1)cell line authentication (1)autoinhibition (1)autotrophic (1)tautomeric shift (1)

▸ Metals — Iridium (29)

▸ Metals — Others (17)

Ni (20)Re (18)Bi (9)ni (7)Os (7)Ag (6)La (4)Rh (3)re (2)mg (2)ti (1)mn (1)os (1)oxide (1)rhenium (1)manganese (1)rh (1)

▸ Metals — Palladium (13)

Pd (70)pd (3)pd2 spm (1)patient-derived xenograft (pdx) models (1)pd2spermine (1)pd(ii)-butadienyl (1)xpd (1)cebpd (1)pk/pd modeling (1)pd(ii)-vinyl (1)gpd2 (1)pdpk1 (1)palladium (1)

▸ Metals — Zinc (5)

Zn (28)zn (4)zinc (2)zinc finger proteins (2)na-zntcpp (1)

▸ Metals — Other (17)

transition metal complexes (1)bos-lig (1)neuroscience (1)iridium (1)electronic structure (1)electronic structure method (1)carnitine (1)reverse transcriptase (1)university students (1)acetyl-l-carnitine (1)cross-sectional study (1)depression (1)reverse transcriptases (1)semi empirical methods (1)adenine nucleotide translocase (1)oxygen consumption (1)theoretical chemistry (1)

🔬 Methods 1118 ▶

▸ Methods — Other experimental (213)

synthesis (246)ML (51)docking (23)natural language processing (12)in vitro (7)in vivo (6)morphological profiling (4)literature search (4)benchmarking (4)network analysis (4)image-based profiling (3)biochemical analysis (3)text analysis (3)bibliometric analysis (3)api (2)incites (2)vosviewer (2)experimental (2)theoretical studies (2)high-throughput screening (2)sequence analysis (2)information extraction (2)pubmed (2)cck-8 assay (2)statistics (2)lectin array (2)statistical approach (2)literature review (2)genetic (2)icite (2)lectin microarray (2)semantic search (2)data visualization (1)in vivo studies (1)target-based approaches (1)permeability measurement (1)gene expression profile (1)patch clamp (1)cnns (1)knockout mouse studies (1)cpg island methylator phenotype (1)in vitro models (1)immunoblot (1)bret2 (1)preclinical models (1)graph theory (1)gnns (1)passive rheology (1)nonequilibrium sensitivity analysis (1)ex vivo (1)multilayer network integration (1)inhibition assay (1)go analysis (1)experimental data analysis (1)caspase activity (1)nct (1)esm (1)web of science (1)gene expression microarray (1)uv light exposure (1)text2sql (1)decision-making (1)short tandem repeat profiling (1)in-vitro (1)analytical determination methods (1)perturbation (1)immunospecific antibodies (1)overexpression (1)mechanistic analysis (1)nuclease digestion (1)enzymatic reaction (1)excision assay (1)nuclear magnetic resonance (not explicitly mentioned but implied through study of variants) (1)pampa assay (1)experimental studies (1)null models (1)binding studies (1)clinical analysis (1)semi-supervised learning (1)efficacy analyses (1)supervised learning (1)electric field application (1)mouse model (1)estimates (1)isothermal calorimetry (1)rational design (1)learning to rank (1)gene expression analysis (1)fluorometry (1)octanol-aqueous shake-flask method (1)polypharmacy regimens (1)predictive models (1)xr-seq (1)graph learning (1)human studies (1)in vivo lung perfusion (1)merip-seq (1)uv-detection (1)atp hydrolysis (1)clinical methods (1)data processing (1)glovebox-bound apparatus (1)hoechst 33,258 staining (1)mutational analyses (1)semantic retrieval (1)solid-phase microextraction (1)immunization (1)pathscan array (1)quantitative phase behavior (1)natural bond orbital (nbo) analysis (1)ai (1)immunological analysis (1)cellular assays (1)synthetic biology tools (1)nanotherapeutic approaches (1)splicing regulation profiling (1)genome-wide screening (1)loss-of-function screens (1)histochemical staining (1)resazurin reduction assay (1)stopped-flow ph jump experiments (1)protein language model (1)experimental validation (1)matrix factorization (1)giao method (1)multi-head attention mechanism (1)rnns (1)phase ii trial (1)calorimetry (1)high throughput screening (1)trp emission (1)self-supervised learning (1)chemocentric approach (1)graph-based learning (1)tcga analysis (1)theoretical framework (1)machine-learning algorithms (1)ablation experiments (1)boolean logic (1)guanidine hydrochloride denaturation (1)ic50 index (1)statistical analysis (1)quantification (1)ensemble learning (1)in vitro study (1)relation search (1)relation extraction (1)image segmentation (1)genetic studies (1)genome-wide analysis (1)knockdown (1)ccsd(t) (1)biochemical characterization (1)performance evaluation (1)nbo 3.1 (1)rocplotter (1)mitoplast preparation (1)cryoem (1)entity annotation (1)modeling (1)systems engineering (1)database analysis (1)radiation exposure (1)prognostic tools (1)mouse models (1)nuclear magnetic resonance (1)proximity ligation assays (1)mp2(fc)/6–311 + + (2d,2p) (1)personalized treatments (1)ncbi e-utilities (1)gradient boosting machines (1)kegg analysis (1)genetic algorithm (1)algorithms (1)experimental design (1)system-level/network analyses (1)visualized analysis (1)aimall (1)radiotherapy (1)laboratory methods (1)displacement assay (1)electrophoretic retardation measurements (1)seahorse platform (1)normoxia (1)mixture modeling (1)high-throughput (1)experimental methods (1)slot blot (1)magnetic tweezers (1)thermal denaturation (1)global genome ner (1)genetic profiling (1)mutation analysis (1)algorithm development (1)modelling (1)cell migration assay (1)methylome profiling (1)biochemical studies (1)patch clamping (1)umbrella review (1)zotero (1)immunoblotting (1)statistical methods (1)cellular models (1)miclip (1)fluorometric assay (1)enzymatic assays (1)genetic analysis (1)photophysical (1)biomedical information retrieval (1)logistic regression (1)in-vivo (1)mutational status analysis (1)

▸ Methods — Computational (31)

▸ Methods — Crystallography / Structure (4)

X-ray (92)x-ray crystallography (25)crystallography (2)cryo-em (2)

▸ Methods — Cell biology (21)

▸ Methods — Spectroscopy (19)

NMR (42)metabolic reprogramming (13)nmr (12)uv-vis (4)epr (3)luminescence (2)repression (1)nuclear magnetic resonance (nmr) (1)immunofluorescence (1)raman imaging (1)cellular reprogramming (1)fluorescence (1)omeprazole (1)lipid metabolic reprogramming (1)13c nmr (1)uv-vis assay (1)data preprocessing (1)deprotonation (1)fluorescence imaging (1)

▸ Methods — Genomics / Omics (25)

▸ Methods — Mass spec / Chromatography (6)

mass spectrometry (9)hplc (3)gel electrophoresis (2)liquid chromatography-mass spectrometry (1)liquid chromatography (1)size-exclusion chromatography (1)

▸ Methods — Clinical / Epidemiology (8)

systematic review (2)clinical studies (2)meta-analysis (1)clinical trial data processing (1)clinical trial (1)epidemiology (1)clinical trial data (1)patient demographics (1)

▸ Methods — Electrochemistry (5)

potentiometry (2)cyclic voltammetry (2)electrochemistry (2)amperometry (1)electrochemical (1)

▸ Methods — Other (1)

crystallographic datasets (1)

🎯 Targets 980 ▶

▸ Targets — Mitochondria (15)

mitochondria (292)mitochondrial dysfunction (23)mitochondrial function (6)electron transport chain (3)mitochondrial metabolism (2)pathologies related to mitochondrial dysfunction (1)mitochondria-targeted therapy (1)mitochondria-targeted probe (1)mitochondrial dna (1)mitochondrial swelling (1)mitochondrial matrix (1)mitochondrial electron transport chain (1)mitochondrial disorders (1)mitochondrial cristae (1)mitochondrial targeting (1)

▸ Targets — Other (157)

protein (58)enzyme (19)heme (11)gene expression (10)nucleus (9)genome (5)cardiolipin (5)enzymes (5)are (4)nucleolus (4)genetic variants (4)tfiih (4)lipids (4)signal transduction (4)cytoplasm (4)cellular metabolism (4)cell metabolism (3)cell surface (3)ribosome (3)metalloproteins (3)cells (3)cell (3)fumarate hydratase (2)dihydroorotate dehydrogenase (2)ubiquinone (2)stress response (2)tubulin (2)cytosol (2)polysulfides (2)cytochrome c oxidase (2)xpb (2)aif (2)genes (2)ribosome biogenesis (2)chromophore (1)none (1)substrates (1)clinical notes (1)acsl4 (1)protein phosphatase 2a (1)dpscs (1)albumin (1)tissues (1)trxr (1)substrate (1)platelet aggregation (1)tbk1 (1)metabolic phenotype (1)lab results (1)intracellular ph (1)sqr (1)cellular biochemistry (1)target (1)healthy cells (1)sting (1)gene targets (1)variants (1)three-way junction (1)heme-oxygenase1 (1)ddr1 (1)cajal bodies (1)target genes (1)upr (1)mif (1)heme a3 (1)nucleic acids (1)intracellular substrates (1)hydrogen sulﬁde (h2s) (1)mt1-mmp (1)gene (1)plasma proteins (1)adenine (1)metabolic signatures (1)nuclear foci (1)mscs (1)caspase cascade (1)p65 (1)dna synthesis (1)ddb2 (1)nuclear factor (1)hmga2 (1)ecm (1)diseases (1)spliceosomal proteins (1)neurons (1)smn protein (1)nadh/nad(p)h (1)rtk clusters (1)reactive species (1)metal (1)translation initiation (1)ligand (1)lipid droplet (1)metabolic enzymes (1)pkcd (1)protein kinases (1)peripheral nervous system (1)stem cells (1)cellular targets (1)metalloenzyme (1)chemical reactions (1)4ebp1 (1)procaspase 3 (1)ump synthase (1)rbx1 (1)literature-based evidence (1)ras (1)metabolic biomarkers (1)guanine (1)metal centers (1)ccr7 (1)cytochrome p450 2e1 (1)cell nucleus (1)lung tissue (1)ph (1)stress granules (1)erythrocytes (1)hexokinase 2 (1)nucleic acid (1)nitrogen species (1)four-way junction (1)nucleolar protein (1)p21 (1)mek1/2 (1)membrane potential (1)polysulﬁdes (h2sn) (1)mek (1)annexin v (1)atp production (1)actin (1)traf5 (1)tme (1)cytoskeleton (1)proteoforms (1)cell cycle (1)p47phox (1)metabolome (1)cellular (1)aldoa (1)oxidants (1)zbp1 (1)cellular machines (1)atp (1)actin filaments (1)disease network (1)lipid damage (1)focal adhesions (1)p97 (1)protein sequence (1)xpc (1)whole cell (1)p38 (1)plectin (1)plasmids (1)propidium iodide (1)nadph oxidase 1 (nox1) (1)hdac enzymes (1)

▸ Targets — Nucleic acids (44)

▸ Targets — Membrane / Transport (15)

cell membrane (27)mitochondrial membrane (3)vimentin (2)tight junctions (2)bioenergetic membrane (1)nuclear membrane (1)plasma membrane (1)mitochondrial membrane potential measurement (1)e-cadherin (1)membraneless organelles (1)membrane type-1 matrix metalloproteinase (1)transporters (1)tight junction (1)lysosomal membrane permeabilization (1)membrane degradation (1)

▸ Targets — Enzymes / Kinases (18)

gpx4 (7)telomerase (3)fsp1 (3)cdk7 (2)telomerase inhibition (2)cdk9 (1)cdk20 (1)hk2 (1)icfsp1 (1)gsk3b (1)parp-1 (1)cyclin-dependent kinase 9 (1)ifsp1 (1)wee1 (1)slc7a11 (1)nuclear gsk3b (1)xct (1)parp1 (1)

▸ Targets — Transcription factors (5)

atf5 (1)cp-dn-atf5 (1)cebpb (1)srsf1 (1)mettl3 (1)

🦠 Diseases 880 ▶

▸ Diseases — Cancer (69)

anticancer (440)cancer (183)cancer metabolism (9)cancer biology (7)cancer therapy (7)breast cancer (5)cancer treatment (5)tumor cells (5)cancer research (4)tumor progression (4)antitumor (4)lung cancer (3)tumor (3)cancer progression (3)brain cancer (3)leukemia (3)hepatocellular carcinoma (2)gastrointestinal cancer (2)cancer pathogenesis (2)tumor biology (2)non-small cell lung cancer (2)tumorigenesis (2)tumor-associated macrophages (2)cancer chemotherapy (2)glioblastoma (2)tumor suppression (2)anticancer therapy (2)ovarian cancer (2)glioma (2)malignancies (1)tumor microbiome (1)pancreatic cancer (1)tumor therapy (1)gastric cancer (1)cancer cells (1)tumor growth inhibition (1)brain tumor (1)tumor necrosis factor-alpha (1)tumor metabolome (1)pro-tumor (1)tumor growth suppression (1)photocatalytic cancer therapy (1)tumor immunity (1)renal carcinoma (1)hereditary leiomyomatosis and renal cell cancer (1)antitumour (1)cancer-specific metabolomic signatures (1)tumor immunity remodelling (1)tumor cell growth (1)canceromics (1)tumor-suppressor pathway (1)kidney cancer (1)tumours (1)cancer cell metabolism (1)tumor immunometabolism (1)tumor suppressor (1)triple-negative breast cancer (1)renal cancer (1)tumor cell metabolism (1)arf-p53 tumor-suppressor pathway (1)cancer prevention (1)malignancy (1)anti-tumor (1)leukemia cell maintenance (1)tumor-immune interactions (1)tumour physiology (1)tumor suppressors (1)cancer metabolic reprogramming (1)cancer immunity (1)

▸ Diseases — Other (41)

▸ Diseases — Neurodegenerative (18)

neurodegeneration (11)neurodegenerative disorders (4)neurodegenerative diseases (3)clinical trials (2)chemicals (2)energetic materials (1)amyotrophic lateral sclerosis (1)parkinson disease (1)metals in medicine (1)neurodegenerative disease (1)alzheimer (1)alzheimer's disease (1)parkinson's disease (1)transition metals (1)huntington's disease (1)inorganic minerals (1)neurodegenerative (1)materials science (1)

▸ Diseases — Inflammatory / Immune (6)

anti-inflammatory (10)osteoarthritis (1)influenza (1)psoriatic arthritis (1)inflammatory diseases (1)lupus (1)

▸ Diseases — Metabolic (5)

diabetes (6)obesity (2)metabolic diseases (1)metabolism disorders (1)anti-obesity medications (1)

▸ Diseases — Cardiovascular (6)

stroke (3)cardiac arrhythmias (1)ischemia-reperfusion injury (1)cardiotoxicity (1)ischemia (1)chemotherapeutic cardiotoxicity (1)

▸ Diseases — Hepatic / Renal (8)

hepatoprotective (1)kidney disease (1)liver diseases (1)liver injury (1)hepatotoxicity (1)oxidative hepatitis (1)cell delivery (1)chronic kidney disease (1)

⚙️ Mechanisms 800 ▶

▸ Mechanisms — ROS / Redox (65)

ROS (152)oxidative stress (23)ros generation (22)antioxidant (16)lipid peroxidation (14)ros (9)redox biology (8)redox homeostasis (7)redox regulation (6)peroxidase activity (6)antioxidants (6)gsh (6)reactive oxygen species (5)redox signaling (5)glutathione (4)glutathione (gsh) (3)crosstalk (2)gsh depletion (2)electrostatic probes (1)idiopathic pulmonary fibrosis (1)cross talk (1)glutathione synthesis (1)electrostatic interactions (1)cross-linking (1)microperoxidase-8 (1)peroxidase (1)oxidative stress response (1)cross-sectional studies (1)antioxidant program (1)hexanitrostilbene (hns) (1)redox sensing (1)redox generation (1)glutathione peroxidase 4 (1)antioxidant activities (1)crosstalk analysis (1)redox imbalance (1)hydrogen peroxide (1)cardiolipin peroxidase (1)glutathione reductase (1)redox status regulation (1)oxidative stress protection (1)redox dynamic equilibrium (1)cellular antioxidant response (1)psoralen crosslinking (1)redox balance (1)glutathione peroxidase 4 (gpx4) (1)cross-validation (1)radical-trapping antioxidant (1)redox properties (1)redox-linked (1)thioredoxin (1)redox catalysis (1)nitrosative stress (1)redox (1)ros elimination (1)tyrosine (1)antioxidant supplements (1)microscale thermophoresis (1)redox activity (1)heme peroxidases (1)microsatellite instability (1)redox reactions (1)antioxidant protection (1)multiple sclerosis (1)lipid peroxides (1)

▸ Mechanisms — Other (96)

cell cycle arrest (16)enzyme inhibition (12)phosphorylation (5)gene expression regulation (5)cell cycle regulation (4)persulfidation (3)detoxification (3)ligand dissociation (2)sequence variants (2)mechanism of action (2)resistance (2)inactivation (2)invasion inhibition (1)er stress responses (1)hormesis (1)invasiveness (1)epithelial-to-mesenchymal transition inhibition (1)oxygen-dependent metabolism (1)aquation (1)paracellular permeability (1)translation efficiency (1)denaturation (1)sequestration (1)oxidative post-translational modification (1)lipid metabolism (1)duplex unwinding (1)unfolded protein response (1)antioxidation (1)calcium regulation (1)radical formation (1)oxidative damage (1)splicing regulation (1)cell growth arrest (1)protein destabilization (1)multivalent interactions (1)protein phosphatase 2a modulation (1)protein dislocation (1)cell growth suppression (1)proteotoxic stress (1)protein rearrangements (1)p21 translation inhibition (1)gg-ner (1)pseudohypoxia (1)hypoxic response (1)electron shuttle (1)low-barrier hydrogen bond (1)kinase inhibition (1)synthetic lethality (1)stress responses (1)mutagenesis (1)subcellular relocalization (1)weak interactions (1)proton ejection (1)metabolic fuel selection (1)posttranslational modification (1)regulatory interactions (1)proton pumps (1)genetic regulation (1)protein unfolding (1)nucleolar homeostasis (1)ligand switch (1)ribosomopathies (1)oxidation-reduction (1)induced fit (1)localization (1)genetic mutation (1)mode of action (1)nucleolar stress response (1)cell killing capacity (1)ligand exchange (1)bond breaking (1)kinase activation (1)modulation (1)diadduct formation (1)cytoskeleton modulation (1)radical-mediated reaction (1)electron self-exchange (1)protein shuttling (1)pore formation (1)cellular metabolism regulation (1)nuclear export processes (1)ion selectivity (1)cell survival suppression (1)stabilization (1)cell damage (1)mitochondrial bioenergetics (1)gene therapy (1)cytochrome p450 2e1 inhibition (1)oxidative metabolic phenotype (1)phosphorylation regulation (1)aggregation (1)downregulation (1)glutamate exchange (1)acidosis (1)dysregulated gene expression (1)glycan expression (1)

▸ Mechanisms — Signaling (51)

nrf2 (18)keap1 (13)signaling (6)signaling pathway (6)cell signaling (5)akt (5)mtor (3)signaling pathways (3)ampk (2)signalling (2)nrf2 activation (2)p53 (2)nrf2/keap1/are pathway (2)mtorc1 (2)signaling cascade (2)signalling regulation (1)metabolic pathway (1)pathway inhibition (1)akt inhibitors (1)nucleolar stress pathway (1)pi3k (1)cellular signaling (1)tp53 (1)survival pathways (1)mek-erk-ampk signaling (1)signaling cascades (1)ampk activation (1)nrf2-mediated gene expression (1)erk1/2 (1)nrf2 pathway (1)cellular pathways (1)calcium signaling (1)hif-1 (1)pi3k/akt/mtor (1)mapk (1)akt1 (1)nf-κb signaling (1)akt1/mtor/4ebp1 axis downregulation (1)keap1/nrf2 interaction restoration (1)mtor inhibition (1)nf-κb (1)pathway enrichment (1)erk (1)kegg pathways (1)hif-1α (1)wnt signaling (1)kinase signaling (1)nrf2 inhibition (1)non-canonical signaling (1)electrophoretic mobility shift assay (emsa) (1)biochemical pathways (1)

▸ Mechanisms — Immune modulation (21)

▸ Mechanisms — DNA damage / Repair (5)

dna binding (19)dna damage (7)dna damage response (4)dna alkylation (1)lesion bypass (1)

▸ Mechanisms — Epigenetic (18)

methylation (4)chromatin (2)epigenetic (2)chromatin biology (2)epigenetics (2)m6a rna modification (2)m6a (1)chromatin accessibility analysis (1)epigenetic analysis (1)n6-methyladenosine (m6a) (1)chromatin aggregation (1)histone deacetylase (1)protein arginine methylation (1)histone h2a (1)epigenetic inheritance (1)histone modification analysis (1)histone deacetylase inhibitor (1)histone (1)

▸ Mechanisms — Cell death (7)

immunogenic cell death (18)programmed necrosis (1)cell death assay (1)cell death pathway (1)regulated necrosis (1)cell death induction (1)cell death resistance (1)

▸ Mechanisms — Protein interaction (14)

protein-protein interactions (6)phase separation (2)liquid-liquid phase separation (2)ubiquitination (2)proteasome (1)crl4csa ubiquitin ligase (1)ubiquitinylation (1)proteasomal degradation (1)generalized protein-protein interaction prediction (1)allostery (1)allosteric inhibitors (1)proteostasis (1)protein-protein interaction (1)protein-protein interaction networks (1)

▸ Mechanisms — Metabolic rewiring (8)

oxidative phosphorylation (4)tca cycle (2)oxphos (1)tca cycle alteration (1)metabolic switch (1)metabolic flexibility (1)oxphos inhibition (1)inhibition of oxidative phosphorylation (1)

🔗 Ligands 646 ▶

▸ Ligands — N-donor (25)

▸ Ligands — Heterocyclic (9)

tetrazole (107)pyridyltetrazolato (1)tetrazolato (1)pyrazinyltetrazolato (1)quinolyl (1)β-carboline (1)heterocyclic (1)triazolylidene (1)pyridyl 5-trifluoromethyl tetrazolato (1)

▸ Ligands — C-donor / NHC (4)

NHC (20)cyclometalating (11)carbene (5)carbone (1)

▸ Ligands — S-donor (14)

thiolate (10)cysteine (7)methionine (4)sulfur metabolism (2)reactive sulfur species (2)thiols (1)cysteine residues (1)sulﬁde-sulfur oxido-reductase (1)sulfur dioxide (1)sulfur reductase (1)thioether (1)cysteine redox switches (1)reactive sulfur species (rss) (1)sulfur (1)

▸ Ligands — O-donor (7)

carboxylate (24)inositol pyrophosphates (1)oxalato (1)pentose phosphate pathway (1)glyceraldehyde-3-phosphate (1)phosphate (1)water (1)

▸ Ligands — Other (8)

spermine (4)bis(imino)acenaphthene (1)flavin (1)organic (1)benzene (1)isoalloxazine (1)dach (1)chloride (1)

▸ Ligands — P-donor (2)

phosphine (7)triphenylphosphonium (1)

▸ Ligands — Peptide / Protein (4)

lysine (4)histidine (2)cysteinyl (1)met80 (1)

▸ Ligands — Macrocyclic (3)

porphyrin (3)tetrapyrroles (1)schiff base (1)

▸ Ligands — Polydentate (5)

tpaphme (1)bidentate (1)tpa (1)monodentate (1)tridentate (1)

🧠 Concepts 612 ▶

▸ Concepts — Other biomedical (178)

medicinal chemistry (122)photoactivated (27)cell biology (13)chemotherapy (11)metabolism (10)biochemistry (9)artificial intelligence (7)large language models (7)systems biology (6)information retrieval (5)precision medicine (5)gene regulation (5)data mining (5)chemoprevention (4)cheminformatics (4)therapeutic target (4)mitophagy (4)immunology (4)genetics (4)biomedical research (3)large language model (3)biomedical literature (3)hydrogen bonding (3)post-translational modifications (3)chemotherapy resistance (3)variant interpretation (3)immunometabolism (3)physiology (2)clinical practice (2)evidence extraction (2)biotransformation (2)metabolic regulation (2)physiological relevance (2)chemical biology (2)cell cycle progression (2)immunomodulation (2)biophysics (2)protein modification (2)biopharmaceutics (2)immunity (2)in vitro modeling (2)post-translational modification (2)targeted therapy (2)predictive modeling (2)therapy resistance (2)desiccant efficiency (1)multimodal data integration (1)stereochemistry (1)variant evaluation (1)epithelial-mesenchymal transition (1)metalloprotein (1)genetic screening (1)self-assembly (1)personalized therapy (1)protein function prediction (1)cellular mechanisms (1)protein targeting (1)evidence-based medicine (1)photophysics (1)protein modifications (1)translational research (1)paracellular transport (1)helicase mechanism (1)chemiosmosis (1)polarizability (1)nonequilibrium (1)genotype characterization (1)nuclear shape (1)nutrient dependency (1)metabolic engineering (1)interactome (1)therapies (1)probing (1)multiscale analysis (1)reactive species interactome (1)tissue-specific (1)pharmaceutics (1)knowledge extraction (1)metabolic activities (1)protein function (1)chemical ontology (1)proton delocalization (1)permeability (1)biomarkers (1)prediction tool (1)mechanisms of action (1)protein-ligand binding affinity prediction (1)short hydrogen bonds (1)chemical language models (1)biomedical informatics (1)organelle function (1)microbiome (1)pathogenesis (1)mechanistic framework (1)biosignatures (1)cellular stress response (1)ion-selective electrodes (1)multimodal fusion (1)gasotransmitter (1)carbon metabolism (1)bioengineering (1)ion association (1)enzyme mechanism (1)symmetry breaking (1)micropolarity (1)genome stability (1)scaffold (1)global health (1)clinical implications (1)cellular neurobiology (1)mesh indexing (1)llm (1)therapeutic strategy (1)ner (1)dissipative behavior (1)enzymology (1)pretrained model (1)longevity (1)profiling approaches (1)multimodal information integration (1)therapeutic implications (1)astrobiology (1)protein sequence analysis (1)selective degradation (1)mechanical properties (1)biomedical literature search (1)metabolism regulation (1)extracellular vesicles (1)protein chemistry (1)foundation model (1)data science (1)low-barrier hydrogen bonds (1)variant detection (1)synthetic biology (1)therapeutic innovation (1)therapeutic targeting (1)metabolic dependencies (1)protein data bank (1)cellular biology (1)phenotypic screening (1)immunoengineering (1)database (1)thermochemistry (1)therapeutic approaches (1)medical subject heading (1)network biology (1)inorganic chemistry (1)immunoregulation (1)ageing (1)protein interaction networks (1)hormone mimics (1)therapeutics (1)chemotherapy efficacy (1)metabolite-mediated regulation (1)regulatory landscape (1)chemical informatics (1)mental well-being (1)personalized medicine (1)cell plasticity (1)protein science (1)metabolic therapy (1)cell polarity (1)bioavailability (1)biomedicine (1)cellular stress (1)network medicine (1)energy transduction (1)boron helices (1)nucleolar biology (1)sialic acid (1)organic solvent drying (1)phenotypic analysis (1)in vivo perfusion (1)polypharmacy (1)hyperglycemia (1)phenotypic screens (1)mechanobiology (1)nuclear organization (1)

▸ Concepts — Bioinorganic (7)

bioinorganic (117)bioinorganic chemistry (2)metal-based photocatalysts (1)metal-organic frameworks (1)metalation (1)bioinorganic regulation (1)metal-organic (1)

▸ Concepts — Thermodynamics / Kinetics (10)

bioenergetics (8)thermodynamics (2)kinetic studies (2)enzyme kinetics (1)kinetics (1)kinetic parameters (1)thermodynamic model (1)thermodynamic analysis (1)energetic performance (1)bioenergetic (1)

▸ Concepts — Evolution / Origin of life (9)

evolution (2)prebiotic chemistry (2)evolutionary biology (1)protocell (1)biochemical evolution (1)darwinian evolution (1)abiogenesis (1)prebiotic synthesis (1)protocell formation (1)

▸ Concepts — Nanomedicine / Delivery (2)

nanomedicine (4)encapsulation (1)

▸ Concepts — Cancer biology (1)

📦 Other 583 ▶

▸ Other (169)

review (375)proteins (11)cytochrome c (10)hydrogen sulfide (5)lactate (3)lipid (3)fumarate (3)kras (3)inhibitors (2)spermidine (2)csa (2)persulfides (2)xtb (2)catalase (2)csb (2)putrescine (2)metalloenzymes (2)mental health (1)carbonate ions (1)antithrombotic agents (1)pik3ca (1)butionine sulfoximine (1)prmt5 (1)uniprotkb (1)tpp-hclo4 (1)brequinar (1)pubtator 3.0 (1)metal salt (1)na-h2tcpp (1)nadhp (1)genotoxic agents (1)modular interaction motifs (1)npm1 protein (1)protons (1)ribosome biogenesis factors (1)nadh (1)ki-67 (1)chemistry (1)phosphatidic acid (1)heat shock proteins (1)l-ohp (1)brain (1)association study (1)ucp2 (1)alkaline phosphatase (1)trex1 (1)insp7 (1)ribosomal proteins (1)chebi (1)platelet aggregation inhibitors (1)artificial metalloenzymes (1)fluorescent probe (1)charge balancing (1)o-nitrophenyl octyl ether (1)dataset (1)resazurin (1)gfp (1)gap junctions (1)vitamin b12 (1)organic solutes (1)garlic oil (1)cationic surfactant (1)ligand charges (1)3-phenylquinazolinones (1)dodecyl-β-d-maltoside (1)r16 (1)bacterial anti-phage systems (1)uvssa (1)protein-templated synthesis (1)2-nitrophenyloctyl ether (1)atovaquone (1)tpp (1)p62 (1)ms023 (1)boron-doped helical systems (1)uv photoproducts (1)triton x-100 (1)tight binding (1)alkylating agents (1)bml284 (1)sodium azide (az) (1)phospholipids (1)mediator (1)snu13 (1)dithiothreitol (dtt) (1)cystine (1)proton pump inhibitors (1)mtt (1)adda 5 (1)rpa (1)ac220 (1)sodium decanoate (1)nad (1)lipophilic ionic additive (1)hdac inhibitor (1)methylene blue (1)greigite (1)sucralose (1)dspe-peg-2000 (1)bpep (1)phospholipid (1)diallyltrisulﬁde (1)pyrene (1)replication protein a (1)polynucleotide synthesis (1)eloxatine (1)drt (1)plasticity (1)nop56 (1)silicate (1)phosphoinositides (1)intrinsically disordered proteins (1)metoprolol (1)box c/d rnp (1)nop1 (1)dmf (1)diuretics (1)atp analogue (1)ribonuclease inhibitors (1)ligand properties (1)monoclonal antibodies (1)adp•bef3 (1)organic carbon (1)folfox-6 (1)desiccants (1)nadph (1)physical activity (1)minoxidil (1)hydrogel (1)st101 (1)pyrazino[2,3-d]pyridazine (1)tight-binding (1)rhea (1)cytochrome oxidase (1)astrocytes (1)decanol (1)elof1 (1)extended tight-binding (1)nucleophosmin (1)nsc49l (1)entinostat (1)insp6 (1)gsk-3β (1)mannosides (1)prmt1 inhibitor (1)lcs-1 (1)sleep quality (1)arginine (1)pp-insps (1)oligonucleotides (1)organic solvents (1)networks (1)bora[7]helicene (1)bardoxolone (1)insp8 (1)pluronic f-127 (1)probes (1)npm1 (1)pvc (1)heart aging (1)therapeutic agents (1)thapsigargin (1)brivudine (1)charge-balancing workflow (1)diborahelicate (1)folfox (1)pyp (1)tfiie (1)dpep (1)

🧬 Activities 402 ▶

▸ Activities — Catalytic / Sensing (15)

imaging (96)catalysis (70)sensor (23)sensing (7)bioimaging (3)live-cell imaging (1)peripheral sensory neurons (1)oxygen sensing (1)nanoscale imaging (1)biosensing (1)base-metal-borrowing hydrogen catalysis (1)in situ imaging (1)live cell-imaging (1)photocatalysis (1)two-photon imaging (1)

▸ Activities — Other biological (110)

inhibition (6)regulation (5)chemoresistance (5)therapeutic (4)oxidation (4)cell survival (4)cell growth (3)prediction (3)chemopreventive (2)target identification (2)phagocytosis (2)analysis (2)carcinogenesis (2)degradation (2)adr detection (2)treatment (2)cell viability (2)vesicle formation (2)cellular response (2)weight loss (2)therapy (2)survival (2)immunomodulatory (2)binding (2)neurotoxicity (2)photodynamic therapy (2)emission (1)incidence (1)protein degradation (1)protein expression (1)ribonuclease activity (1)therapeutic advances (1)protein interaction analysis (1)detection (1)protection (1)sulﬁde oxidase (1)model training (1)medication (1)diagnostic (1)toxicity (1)enzyme activity (1)transformation (1)physiological function (1)nitrification (1)data extraction (1)postmarketing surveillance (1)explanation (1)neuroprotection (1)functional regulators (1)prognosis (1)immunosuppression (1)signal production (1)personalized treatment (1)electron shuttling (1)morphological analysis (1)metabolic plasticity (1)myocardial ischemic injury (1)cell division (1)replication (1)nucleolar reorganization (1)multi-target (1)probe biology (1)promoting angiogenesis (1)oled (1)cell lysis (1)screening (1)carbon fixation (1)epigenome profiling (1)hypoxia alleviation (1)wound healing (1)question answering (1)ammonia oxidation (1)modulation of cytoskeleton (1)ppi prediction (1)cellular protection (1)gene function prediction (1)metabolic (1)cell invasion (1)cell line characterization (1)ddi screening (1)immunosuppressive (1)cellular transformation (1)profiling (1)tubulin inhibition (1)interactions (1)cell growth promotion (1)sensitization (1)mutation prevention (1)predictive biomarker (1)nucleolar stress (1)energy homeostasis (1)stimulation (1)carbon limitation response (1)stress regulation (1)cell migration (1)anti-ageing (1)regulatory assessment (1)prognostic value (1)evaluation (1)variant prioritization (1)induction (1)intracellular ph regulation (1)cell profiling (1)regulation of calcium levels (1)rare disease diagnosis (1)disease gene identification (1)therapeutic opportunities (1)invasion (1)metabolic activity (1)protein synthesis (1)

▸ Activities — Antimicrobial (3)

antibacterial (24)antifungal (3)antimicrobial (1)

▸ Activities — Anticancer (3)

cytotoxicity (6)cytotoxic (1)chemotherapeutics (1)

▸ Activities — Antioxidant / cytoprotect (2)

cytoprotective (2)cytoprotective strategy (1)

💊 Drugs 68 ▶

▸ Drugs — Immuno / biologic (14)

immunotherapy (3)immune checkpoint modulation (2)trail (1)anti-tumor immunotherapy (1)cancer immunotherapy (1)metabolic checkpoints (1)biological redox regulation (1)biological target (1)biological testing (1)biological inorganic chemistry (1)biological function (1)biological targets (1)biologics (1)semaglutide (1)

▸ Drugs — Kinase inhibitors (11)

braf (2)flt3-itd (1)thz1 (1)gefitinib (1)xl413 (1)dasatinib (1)adavosertib (1)stk19 (1)braf(v600e) (1)flt3 tyrosine kinase inhibitors (1)flt3 (1)

▸ Drugs — Metabolic modulators (7)

dhodh (4)dhodh inhibitors (2)iacs-010759 (2)rotenone (1)skq1 (1)mitotempo (1)hk2 inhibitors (1)

▸ Drugs — Chemo / cytotoxic (8)

actinomycin d (2)5-fluorouracil (2)5-fu (1)temozolomide (1)ormaplatin (1)5-fluorouracilo (1)paclitaxel (1)pyriplatin (1)

▸ Drugs — Ferroptosis modulators (3)

erastin (4)fsp1 inhibitors (1)rsl3 (1)

▸ Drugs — Natural products (5)

sulforaphane (2)quercetin (1)natural product (1)dietary phytochemicals (1)dimethyl fumarate (1)

▸ Drugs — CNS / psych (4)

antidepressants (2)antipsychotics (1)serotonin (1)mood stabilizers (1)

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Computational analyses of mechanism of action (MoA): data, methods and integration

2022 · RSC Chemical Biology · Royal Society of Chemistry · added 2026-04-21

This review summarises different data, data resources and methods for computational mechanism of action (MoA) analysis, and highlights some case studies where integration of data types and methods ena Show more

This review summarises different data, data resources and methods for computational mechanism of action (MoA) analysis, and highlights some case studies where integration of data types and methods enabled MoA elucidation on the systems-level. Show less

📄 PDF DOI: 10.1039/d1cb00069a

bioinformatics computational analysis connectivity mapping drug discovery machine learning mechanism of action medicinal chemistry multi-omics integration

1