Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction-Reference-Cited by-同舟云学术

Deep Learning Based Regression and Multiclass Models for Acute Oral Toxicity Prediction with Automatic Chemical Feature Extraction

Published:2017-10-27 Issue:11 Volume:57 Page:2672-2685
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Xu Youjun¹,Pei Jianfeng¹^ORCID,Lai Luhua¹^ORCID

Affiliation:

1. Center for Quantitative Biology, Academy for Advanced Interdisciplinary Studies, ‡Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, and ¶Peking-Tsinghua Center for Life Sciences, Peking University, Beijing 100871, China

Funder

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00244

Reference71 articles.

1. Test Guideline 401.Trends Pharmacol. Sci. 2001, 22.

2. A Predictive Model for Estimating Rat Oral Ld50 Values

3. Mechanistic Insight into Acetylcholinesterase Inhibition and Acute Toxicity of Organophosphorus Compounds: A Molecular Modeling Study

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