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A Survey of Quantitative Descriptions of Molecular StructureWhen drug discovery meets web search: Learning to Rank for ligand-based virtual screeningProteochemometric modeling of the bioactivity spectra of HIV-1 protease inhibitors by introducing protein-ligand interaction fingerprintHow Far Could We Go with Open Data - A Case Study for TRPV1 AntagonistsScreening of selective histone deacetylase inhibitors by proteochemometric modeling.Computation of the physio-chemical properties and data mining of large molecular collections.Prediction of blood:air and fat:air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis.Combinatorial informatics in the post-genomics ERA.Discrimination of approved drugs from experimental drugs by learning methodsMulti-target QSAR modelling in the analysis and design of HIV-HCV co-inhibitors: an in-silico study.Investigations on inhibitors of hedgehog signal pathway: a quantitative structure-activity relationship studyTuning HERG out: antitarget QSAR models for drug developmentHighly predictive support vector machine (SVM) models for anthrax toxin lethal factor (LF) inhibitors.Use of biopartitioning micellar chromatography and RP-HPLC for the determination of blood-brain barrier penetration of α-adrenergic/imidazoline receptor ligands, and QSPR analysis.Ligand binding mode prediction by docking: mdm2/mdmx inhibitors as a case studyDatabases and QSAR for cancer research.In silico prediction of hERG inhibition.Benchmarking Variable Selection in QSAR.Ecotoxicological modelling of cosmetics for aquatic organisms: A QSTR approach.Impact of the Recent Mouse P-Glycoprotein Structure for Structure-Based Ligand Design.Cheminformatics Modeling of Amine Solutions for Assessing their CO2 Absorption Properties.Application of computational methods to the design and characterisation of porous molecular materials.Predicting the aquatic toxicity mode of action using logistic regression and linear discriminant analysis.Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results.Use of shape similarities for the classification of P-glycoprotein substrates and nonsubstrates.Qualitative prediction of blood-brain barrier permeability on a large and refined dataset.Prediction of kinase-inhibitor binding affinity using energetic parametersRank order entropy: why one metric is not enoughClassification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.Prediction of Organic Reaction Outcomes Using Machine Learning.Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations.QSPR prediction of physico-chemical properties for REACH.Structure-pharmacokinetic relationship of in vivo rat biliary excretion.Prediction of skin sensitization potential using D-optimal design and GA-kNN classification methods.Structure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists.Cell wall permeability assisted virtual screening to identify potential direct InhA inhibitors of Mycobacterium tuberculosis and their biological evaluation.MetStabOn-Online Platform for Metabolic Stability Predictions.Machine-Learning Models for Combinatorial Catalyst DiscoveryStructural feature study of benzofuran derivatives as farnesyltransferase inhibitors
P2860
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P2860
description
2000 nî lūn-bûn
@nan
2000 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
name
A widely applicable set of descriptors.
@ast
A widely applicable set of descriptors.
@en
type
label
A widely applicable set of descriptors.
@ast
A widely applicable set of descriptors.
@en
prefLabel
A widely applicable set of descriptors.
@ast
A widely applicable set of descriptors.
@en
P1476
A widely applicable set of descriptors.
@en
P2093
P304
P356
10.1016/S1093-3263(00)00068-1
P577
2000-08-01T00:00:00Z