ChEMBL: a large-scale bioactivity database for drug discovery
about
The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery researchGenome-scale screening of drug-target associations relevant to Ki using a chemogenomics approachPAV ontology: provenance, authoring and versioningWikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from WikipediaDiscovery and resupply of pharmacologically active plant-derived natural products: A reviewDrugBank 4.0: shedding new light on drug metabolismMetaBase--the wiki-database of biological databasesChemical informatics uncovers a new role for moexipril as a novel inhibitor of cAMP phosphodiesterase-4 (PDE4)Structure-based discovery of opioid analgesics with reduced side effects.Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening MethodologiesMachine-learning scoring functions to improve structure-based binding affinity prediction and virtual screeningPharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid DehydrogenasesChemoinformatics: Achievements and Challenges, a Personal ViewBiomarker-based drug safety assessment in the age of systems pharmacology: from foundational to regulatory scienceModeling enzyme-ligand binding in drug discoveryGlobal phenotypic screening for antimalarialsAn Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and DisciplinesPersonalized cancer medicine: molecular diagnostics, predictive biomarkers, and drug resistanceBig data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicantsStructure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive reviewImplications of the small number of distinct ligand binding pockets in proteins for drug discovery, evolution and biochemical functionHybrid integrated label-free chemical and biological sensorsThe ChEMBL database as linked open dataSTITCH 4: integration of protein-chemical interactions with user dataThe IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligandsThe ChEMBL bioactivity database: an updateConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug DiscoveryProfiling animal toxicants by automatically mining public bioassay data: a big data approach for computational toxicologyThe Haemonchus contortus kinome--a resource for fundamental molecular investigations and drug discoveryConsistency of systematic chemical identifiers within and between small-molecule databasesDiscovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal StructureThe Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand RecognitionDe Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding FragmentsRapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstructionA pyrrolo-pyrimidine derivative targets human primary AML stem cells in vivoIncorporating Commercial and Private Data into an Open Linked Data Platform for Drug DiscoveryProteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesTCMSP: a database of systems pharmacology for drug discovery from herbal medicinesThe Molecule Cloud - compact visualization of large collections of moleculesCheminformatics analysis of the AR agonist and antagonist datasets in PubChem
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P2860
ChEMBL: a large-scale bioactivity database for drug discovery
description
2012 nî lūn-bûn
@nan
2012 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
ChEMBL: a large-scale bioactivity database for drug discovery
@ast
ChEMBL: a large-scale bioactivity database for drug discovery
@en
ChEMBL: a large-scale bioactivity database for drug discovery
@nl
type
label
ChEMBL: a large-scale bioactivity database for drug discovery
@ast
ChEMBL: a large-scale bioactivity database for drug discovery
@en
ChEMBL: a large-scale bioactivity database for drug discovery
@nl
prefLabel
ChEMBL: a large-scale bioactivity database for drug discovery
@ast
ChEMBL: a large-scale bioactivity database for drug discovery
@en
ChEMBL: a large-scale bioactivity database for drug discovery
@nl
P2093
P2860
P50
P3181
P356
P1476
ChEMBL: a large-scale bioactivity database for drug discovery
@en
P2093
A Patricia Bento
Jon Chambers
Shaun McGlinchey
Yvonne Light
P2860
P304
P3181
P356
10.1093/NAR/GKR777
P407
P433
Database issue
P577
2012-01-01T00:00:00Z