Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
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Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approachPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram dataProteochemometric modeling in a Bayesian framework.Computational chemogenomics: is it more than inductive transfer?Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modellingprotr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences.The recent progress in proteochemometric modelling: focusing on target descriptors, cross-term descriptors and application scope.Active learning for computational chemogenomics.Kinome-Wide Profiling Prediction of Small Molecules.Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.Biomacromolecular 3D-QSAR to Decipher Molecular Herbicide Resistance in Acetohydroxyacid Synthases.An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes.Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling.Statistical Profiling of One Promiscuous Protein Binding Site: Illustrated by Urokinase Catalytic Domain.Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling.Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design.Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospectsApplications of proteochemometrics - from species extrapolation to cell line sensitivity modelling
P2860
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P2860
Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
description
2011 nî lūn-bûn
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2011 թուականին հրատարակուած գիտական յօդուած
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2011 թվականին հրատարակված գիտական հոդված
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2011年の論文
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2011年論文
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2011年論文
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2011年論文
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2011年論文
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2011年論文
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2011年论文
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name
Which compound to select in le ...... guide preclinical development
@ast
Which compound to select in le ...... guide preclinical development
@en
Which compound to select in le ...... guide preclinical development
@nl
type
label
Which compound to select in le ...... guide preclinical development
@ast
Which compound to select in le ...... guide preclinical development
@en
Which compound to select in le ...... guide preclinical development
@nl
prefLabel
Which compound to select in le ...... guide preclinical development
@ast
Which compound to select in le ...... guide preclinical development
@en
Which compound to select in le ...... guide preclinical development
@nl
P2093
P2860
P50
P1433
P1476
Which compound to select in le ...... guide preclinical development
@en
P2093
Anik Peeters
Herman W T van Vlijmen
Inge Vereycken
Jörg K Wegner
Leen Kwanten
Peggy Geluykens
P2860
P304
P356
10.1371/JOURNAL.PONE.0027518
P407
P577
2011-01-01T00:00:00Z