Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents.
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Integrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screeningPredicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoproteinA two-step target binding and selectivity support vector machines approach for virtual screening of dopamine receptor subtype-selective ligandsADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockageEfficacy of different protein descriptors in predicting protein functional families.Asymmetric bagging and feature selection for activities prediction of drug moleculesDimension reduction with redundant gene elimination for tumor classification.Recent advances in computer-aided drug design.Consensus model for identification of novel PI3K inhibitors in large chemical library.Novel topological descriptors for analyzing biological networks.LigSeeSVM: ligand-based virtual screening using support vector machines and data fusion.Development and experimental test of support vector machines virtual screening method for searching Src inhibitors from large compound libraries.PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence.SVM Based Descriptor Selection and Classification of Neurodegenerative Disease Drugs for Pharmacological Modeling.Computational models to predict aqueous drug solubility, permeability and intestinal absorption.Prediction of human intestinal absorption by GA feature selection and support vector machine regression.Considerations and recent advances in QSAR models for cytochrome P450-mediated drug metabolism prediction.Prediction of functional class of proteins and peptides irrespective of sequence homology by support vector machines.Machine learning algorithms for the prediction of hERG and CYP450 binding in drug development.Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination.A systematic approach to prioritize drug targets using machine learning, a molecular descriptor-based classification model, and high-throughput screening of plant derived molecules: a case study in oral cancer.Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer.Multiple Kernel Learning for Drug Discovery.Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling.A modified uncorrelated linear discriminant analysis model coupled with recursive feature elimination for the prediction of bioactivity.Prediction of antibacterial compounds by machine learning approaches.A computer method for validating traditional Chinese medicine herbal prescriptions.In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts.A novel approach to generate robust classification models to predict developmental toxicity from imbalanced datasets.Three- and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks.Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.In silicoprediction of substrate properties for ABC-multidrug transporters
P2860
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P2860
Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh-hant
name
Effect of molecular descriptor ...... properties of chemical agents.
@en
Effect of molecular descriptor ...... properties of chemical agents.
@nl
type
label
Effect of molecular descriptor ...... properties of chemical agents.
@en
Effect of molecular descriptor ...... properties of chemical agents.
@nl
prefLabel
Effect of molecular descriptor ...... properties of chemical agents.
@en
Effect of molecular descriptor ...... properties of chemical agents.
@nl
P2093
P356
P1476
Effect of molecular descriptor ...... properties of chemical agents
@en
P2093
P304
P356
10.1021/CI049869H
P577
2004-09-01T00:00:00Z