about
Prospecting for novel plant-derived molecules of Rauvolfia serpentina as inhibitors of Aldose Reductase, a potent drug target for diabetes and its complicationsSemantic similarity for automatic classification of chemical compoundsMethods for biological data integration: perspectives and challengesMolecular ChemometricsHigh-quality and universal empirical atomic charges for chemoinformatics applicationsComparing chemistry to outcome: the development of a chemical distance metric, coupled with clustering and hierarchal visualization applied to macromolecular crystallographyLinear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability EstimationNormalized Neural Representations of Complex Odors.Domain of EPI suite biotransformation models.A multi-fingerprint browser for the ZINC databaseDunn's index for cluster tendency assessment of pharmacological data sets.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering.Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.Identification and Characterization of Small-Molecule Inhibitors to Selectively Target the DFG-in over the DFG-out Conformation of the B-Raf Kinase V600E Mutant in Colorectal Cancer.Chemotherapy Drug Response to the L858R-induced Conformational Change of EGFR Activation Loop in Lung Cancer.Rational screening of peroxisome proliferator-activated receptor-γ agonists from natural products: potential therapeutics for heart failure.Flupyradifurone: a brief profile of a new butenolide insecticide.Publicly-accessible QSAR software tools developed by the Joint Research Centre.Predicting protein-ligand affinity with a random matrix framework.Graph-based similarity concepts in virtual screening.Energy-Based Neural Networks as a Tool for Harmony-Based Virtual Screening.Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?Chemoinformatics as a Theoretical Chemistry Discipline.Toward a unifying strategy for the structure-based prediction of toxicological endpoints.The discovery of phenylbenzamide derivatives as Grb7-based antitumor agents.eFindSite: Enhanced Fingerprint-Based Virtual Screening Against Predicted Ligand Binding Sites in Protein Models.Applicability Domain Dependent Predictive Uncertainty in QSAR Regressions.A Risk Assessment Perspective of Current Practice in Characterizing Uncertainties in QSAR Regression Predictions.A Quantum-Based Similarity Method in Virtual Screening.Electron density shape analysis of a family of through-space and through-bond interactions.Ligand expansion in ligand-based virtual screening using relevance feedback.Assessing predictive uncertainty in comparative toxicity potentials of triazoles.Guidance on tiered risk assessment for plant protection products for aquatic organisms in edge-of-field surface watersAnalysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries.Repurposed FDA-approved drugs targeting genes influencing aging can extend lifespan and healthspan in rotifers.The development of ruthenium(ii) polypyridyl complexes and conjugates for in vitro cellular and in vivo applications.Natural molecular fragments, functional groups, and holographic constraints on electron densities.Evaluating the applicability domain in the case of classification predictive models for carcinogenicity based on the counter propagation artificial neural network.
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
Approaches to Measure Chemical Similarity– a Review
@ast
Approaches to Measure Chemical Similarity– a Review
@en
Approaches to Measure Chemical Similarity– a Review
@nl
type
label
Approaches to Measure Chemical Similarity– a Review
@ast
Approaches to Measure Chemical Similarity– a Review
@en
Approaches to Measure Chemical Similarity– a Review
@nl
prefLabel
Approaches to Measure Chemical Similarity– a Review
@ast
Approaches to Measure Chemical Similarity– a Review
@en
Approaches to Measure Chemical Similarity– a Review
@nl
P356
P1476
Approaches to Measure Chemical Similarity– a Review
@en
P2093
Joanna Jaworska
P304
P356
10.1002/QSAR.200330831
P577
2003-12-01T00:00:00Z