Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries
10.2174/138620709788167944
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2011
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sg-nus-scholar.10635-269612023-10-29T22:08:51Z Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries Ma, X.H. Jia, J. Zhu, F. Xue, Y. Li, Z.R. Chen, Y.Z. MEDICINE Activator Adverse drug reaction Agonist Antagonist Compound Computer aided dug design Drug Drug discovery Inhibitor Molecule Pharmacodynamics Pharmacokinetics Statistical learning methods Toxicity Toxicology Virtual screening 10.2174/138620709788167944 Combinatorial Chemistry and High Throughput Screening 12 4 344-357 2011-09-27T05:17:24Z 2011-09-27T05:17:24Z 2009 Review Ma, X.H., Jia, J., Zhu, F., Xue, Y., Li, Z.R., Chen, Y.Z. (2009). Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries. Combinatorial Chemistry and High Throughput Screening 12 (4) : 344-357. ScholarBank@NUS Repository. https://doi.org/10.2174/138620709788167944 13862073 http://scholarbank.nus.edu.sg/handle/10635/26961 000266525900003 Scopus |
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Activator Adverse drug reaction Agonist Antagonist Compound Computer aided dug design Drug Drug discovery Inhibitor Molecule Pharmacodynamics Pharmacokinetics Statistical learning methods Toxicity Toxicology Virtual screening |
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Activator Adverse drug reaction Agonist Antagonist Compound Computer aided dug design Drug Drug discovery Inhibitor Molecule Pharmacodynamics Pharmacokinetics Statistical learning methods Toxicity Toxicology Virtual screening Ma, X.H. Jia, J. Zhu, F. Xue, Y. Li, Z.R. Chen, Y.Z. Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
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10.2174/138620709788167944 |
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MEDICINE |
author_facet |
MEDICINE Ma, X.H. Jia, J. Zhu, F. Xue, Y. Li, Z.R. Chen, Y.Z. |
format |
Review |
author |
Ma, X.H. Jia, J. Zhu, F. Xue, Y. Li, Z.R. Chen, Y.Z. |
author_sort |
Ma, X.H. |
title |
Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
title_short |
Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
title_full |
Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
title_fullStr |
Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
title_full_unstemmed |
Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
title_sort |
comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries |
publishDate |
2011 |
url |
http://scholarbank.nus.edu.sg/handle/10635/26961 |
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1781410550209576960 |