Search Result "Activities prediction of drug molecules"


Predictive QSAR Modeling for the Successful Predictions of the ADMET Properties of Candidate Drug Molecules

Journal: Current Drug Discovery Technologies
Volume: 4 Issue: 3 Year: 2007 Page: 141-149
Author(s): Mahmud Tareq Hassan Khan, Ingebrigt Sylte, Mahmud Tareq Hassan Khan, Ingebrigt Sylte

Predicting the pKa of Small Molecules

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 5 Year: 2011 Page: 307-327
Author(s): Matthias Rupp, Robert Korner, Igor V. Tetko

Recent Advances in QSAR and Their Applications in Predicting the Activities of Chemical Molecules, Peptides and Proteins for Drug Design

Journal: Current Protein & Peptide Science
Volume: 9 Issue: 3 Year: 2008 Page: 248-259
Author(s): Qi-Shi Du, Ri-Bo Huang, Kuo-Chen Chou

Prediction of Biological Activity Spectra for Substances: Evaluation on the Diverse Sets of Drug-Like Structures

Journal: Current Medicinal Chemistry
Volume: 10 Issue: 3 Year: 2003 Page: 225-233
Author(s): A. V. Stepanchikova, A. A. Lagunin, D. A. Filimonov, V. V. Poroikov

Research Article

Molecular Docking for Prediction and Interpretation of Adverse Drug Reactions

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 5 Year: 2018 Page: 314-322
Author(s): Heng Luo,Achille Fokoue-Nkoutche,Nalini Singh,Lun Yang,Jianying Hu,Ping Zhang

Review Article

Survey of Similarity-Based Prediction of Drug-Protein Interactions

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 35 Year: 2020 Page: 5856-5886
Author(s): Chen Wang,Lukasz Kurgan

Review Article

Recent Progress in Machine Learning-based Prediction of Peptide Activity for Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 1 Year: 2019 Page: 4-16
Author(s): Qihui Wu,Hanzhong Ke,Dongli Li,Qi Wang,Jiansong Fang,Jingwei Zhou

In silico Prediction of Drug Metabolism by P450

Journal: Current Drug Metabolism
Volume: 15 Issue: 5 Year: 2014 Page: 514-525
Author(s): Carolina H. Andrade,Diego C. Silva,Rodolpho C. Braga

Review Article

A Review of Computational Methods for Predicting Drug Targets

Journal: Current Protein & Peptide Science
Volume: 19 Issue: 6 Year: 2018 Page: 562-572
Author(s): Guohua Huang,Fengxia Yan,Duoduo Tan

Physiological Approaches to the Prediction of Drug-Drug Interactions in Study Populations

Journal: Current Drug Metabolism
Volume: 4 Issue: 5 Year: 2003 Page: 347-356
Author(s): J. Y. Chien, M. A. Mohutsky, S. A. Wrighton

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