about
Unbiased descriptor and parameter selection confirms the potential of proteochemometric modellingLinking the Resource Description Framework to cheminformatics and proteochemometricsPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical developmentSignificantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram dataA unified proteochemometric model for prediction of inhibition of cytochrome p450 isoformsScreening of selective histone deacetylase inhibitors by proteochemometric modeling.Towards Predicting the Cytochrome P450 Modulation: From QSAR to proteochemometric modelingImproved approach for proteochemometrics modeling: application to organic compound--amine G protein-coupled receptor interactions.Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures.Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modellingIdentifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data.Melanocortin receptors: ligands and proteochemometrics modeling.Predicting new indications for approved drugs using a proteochemometric method.Origin of aromatase inhibitory activity via proteochemometric modeling.The recent progress in proteochemometric modelling: focusing on target descriptors, cross-term descriptors and application scope.Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.Study on human GPCR-inhibitor interactions by proteochemometric modeling.Peptide binding to the HLA-DRB1 supertype: a proteochemometrics analysis.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Generalized proteochemometric model of multiple cytochrome p450 enzymes and their inhibitors.An improved approach for predicting drug-target interaction: proteochemometrics to molecular docking.EpiTOP--a proteochemometric tool for MHC class II binding prediction.Rough set-based proteochemometrics modeling of G-protein-coupled receptor-ligand interactions.
P921
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P921
description
field of research
@en
name
proteochemometrics
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type
label
proteochemometrics
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prefLabel
proteochemometrics
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