about
Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural productsSemantic similarity for automatic classification of chemical compoundsUpdate of TTD: Therapeutic Target DatabaseMethods for biological data integration: perspectives and challengesImpact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interactionWhy is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?A multi-label approach to target prediction taking ligand promiscuity into accountAtom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hitsTarget enhanced 2D similarity search by using explicit biological activity annotations and profilesTarget prediction utilising negative bioactivity data covering large chemical spaceConsensus Diversity Plots: a global diversity analysis of chemical librariesPubChem atom environmentsDevelopment and mining of a volatile organic compound databaseA structure-odour relationship study using EVA descriptors and hierarchical clusteringThe Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung CancerSTITCH: interaction networks of chemicals and proteinsQuantitative comparison of catalytic mechanisms and overall reactions in convergently evolved enzymes: implications for classification of enzyme functionNetwork neighbors of drug targets contribute to drug side-effect similarityA two-step target binding and selectivity support vector machines approach for virtual screening of dopamine receptor subtype-selective ligandsCore site-moiety maps reveal inhibitors and binding mechanisms of orthologous proteins by screening compound librariesPrediction of drug-target interactions and drug repositioning via network-based inferencePrediction of molecular targets of cancer preventing flavonoid compounds using computational methodsSignificantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram dataDistinct pools of non-glycolytic substrates differentiate brain regions and prime region-specific responses of mitochondriaTurning defense into offense: defensin mimetics as novel antibiotics targeting lipid IIExperimentally validated novel inhibitors of Helicobacter pylori phosphopantetheine adenylyltransferase discovered by virtual high-throughput screeningComparing chemistry to outcome: the development of a chemical distance metric, coupled with clustering and hierarchal visualization applied to macromolecular crystallographySystematic artifacts in support vector regression-based compound potency prediction revealed by statistical and activity landscape analysisComputational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual ScreeningAcyclovir Has Low but Detectable Influence on HLA-B*57:01 Specificity without Inducing Hypersensitivity.Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model ConstructionMetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous MetabolitesCASMI: And the Winner is . .Redefining Cheminformatics with Intuitive Collaborative Mobile AppsNatural products in modern life science.Site-specific molecular design and its relevance to pharmacogenomics and chemical biology.Early repositioning through compound set enrichment analysis: a knowledge-recycling strategy.Computation of the physio-chemical properties and data mining of large molecular collections.Predicting hexadecane-air equilibrium partition coefficients (L) using a group contribution approach constructed from high quality data.
P2860
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P2860
description
1998 nî lūn-bûn
@nan
1998 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
1998 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
1998年の論文
@ja
1998年論文
@yue
1998年論文
@zh-hant
1998年論文
@zh-hk
1998年論文
@zh-mo
1998年論文
@zh-tw
1998年论文
@wuu
name
Chemical Similarity Searching
@ast
Chemical Similarity Searching
@en
type
label
Chemical Similarity Searching
@ast
Chemical Similarity Searching
@en
prefLabel
Chemical Similarity Searching
@ast
Chemical Similarity Searching
@en
P3181
P356
P1476
Chemical Similarity Searching
@en
P2093
Geoffrey M. Downs
John M. Barnard
P304
P3181
P356
10.1021/CI9800211
P577
1998-11-01T00:00:00Z