Predicting the Enzymatic Hydrolysis Half‐lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination-Reference-Cited by-同舟云学术

Predicting the Enzymatic Hydrolysis Half‐lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination

Published:2017-06-19 Issue:11 Volume:36 Page:1600153
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Shen Wanxiang¹²,Xiao Tao¹²,Chen Shangying³,Liu Feng¹²,Chen Yu Zong²³⁴,Jiang Yuyang²⁵

Affiliation:

1. Department of ChemistryTsinghua University Beijing 100084 P. R. China

2. The State Key Laboratory Breeding Base-Shenzhen Key Laboratory of Chemical Biology, the Graduate School at ShenzhenTsinghua University Shenzhen 518055 P. R. China

3. Bioinformatics and Drug Design Group, Department of PharmacyNational University of Singapore Singapore 117543 Singapore

4. Shenzhen Kivita Innovative Drug Discovery Institute Shenzhen 518055 P. R. China

5. School of Pharmaceutical SciencesTsinghua University Beijing 100084 P. R. China

Funder

Shenzhen Municipal Government

Shenzhen Municipal Development

Reform Commission

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.201600153

Reference73 articles.

1. Predicting drug metabolism: experiment and/or computation?

2. Foundation review: Principles and applications of LC-MS in new drug discovery

3. Critically Assessing the Predictive Power of QSAR Models for Human Liver Microsomal Stability

4. A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery

5. QSARs for estimating intrinsic hepatic clearance of organic chemicals in humans

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