ChEMBL: a large-scale bioactivity database for drug discovery - Wikidata - awgldk - TriplyDB

ChEMBL: a large-scale bioactivity database for drug discovery

ChEMBL: a large-scale bioactivity database for drug discovery

http://www.wikidata.org/entity/Q28315179

about

The application of the open pharmacological concepts triple store (Open PHACTS) to support drug discovery research Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach PAV ontology: provenance, authoring and versioning Wikipedia Chemical Structure Explorer: substructure and similarity searching of molecules from Wikipedia Discovery and resupply of pharmacologically active plant-derived natural products: A review DrugBank 4.0: shedding new light on drug metabolism MetaBase--the wiki-database of biological databases Chemical 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 Methodologies Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening Pharmacophore Models and Pharmacophore-Based Virtual Screening: Concepts and Applications Exemplified on Hydroxysteroid Dehydrogenases Chemoinformatics: Achievements and Challenges, a Personal View Biomarker-based drug safety assessment in the age of systems pharmacology: from foundational to regulatory science Modeling enzyme-ligand binding in drug discovery Global phenotypic screening for antimalarials An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines Personalized cancer medicine: molecular diagnostics, predictive biomarkers, and drug resistance Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review Implications of the small number of distinct ligand binding pockets in proteins for drug discovery, evolution and biochemical function Hybrid integrated label-free chemical and biological sensors The ChEMBL database as linked open data STITCH 4: integration of protein-chemical interactions with user data The IUPHAR/BPS Guide to PHARMACOLOGY: an expert-driven knowledgebase of drug targets and their ligands The ChEMBL bioactivity database: an update ConTour: Data-Driven Exploration of Multi-Relational Datasets for Drug Discovery Profiling animal toxicants by automatically mining public bioassay data: a big data approach for computational toxicology The Haemonchus contortus kinome--a resource for fundamental molecular investigations and drug discovery Consistency of systematic chemical identifiers within and between small-molecule databases Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand Recognition De Novo Design of Protein Kinase Inhibitors by in Silico Identification of Hinge Region-Binding Fragments Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction A pyrrolo-pyrimidine derivative targets human primary AML stem cells in vivo Incorporating Commercial and Private Data into an Open Linked Data Platform for Drug Discovery Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules TCMSP: a database of systems pharmacology for drug discovery from herbal medicines The Molecule Cloud - compact visualization of large collections of molecules Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem

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P2860

ChEMBL: a large-scale bioactivity database for drug discovery

http://www.wikidata.org/entity/Q28315179

description

2012 nî lūn-bûn

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2012 թուականի Յունուարին հրատարակուած գիտական յօդուած

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2012 թվականի հունվարին հրատարակված գիտական հոդված

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2012年の論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年論文

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2012年论文

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name

ChEMBL: a large-scale bioactivity database for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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Nucleic Acids Research

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ChEMBL: a large-scale bioactivity database for drug discovery

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A Patricia Bento

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Jon Chambers

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Shaun McGlinchey

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Yvonne Light

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P2860

Thousands of chemical starting points for antimalarial lead identification

DrugBank 3.0: a comprehensive resource for 'omics' research on drugs

BRENDA, the enzyme information system in 2011

Ongoing and future developments at the Universal Protein Resource

Chemical Entities of Biological Interest: an update

Predicting new molecular targets for known drugs

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

GLIDA: GPCR-ligand database for chemical genomic drug discovery

AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB

Molecular structure input on the web

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10.1093/NAR/GKR777

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Database issue

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40

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John P. Overington

Bissan Al-Lazikani

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2012-01-01T00:00:00Z

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51675647

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