Prediction of drug metabolites using neural machine translation-Reference-Cited by-同舟云学术

Prediction of drug metabolites using neural machine translation

Published:2020 Issue:47 Volume:11 Page:12777-12788
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Litsa Eleni E.¹²³⁴^ORCID,Das Payel⁵⁶⁷⁴⁸^ORCID,Kavraki Lydia E.¹²³⁴^ORCID

Affiliation:

1. Department of Computer Science

2. Rice University

3. Houston

4. USA

5. IBM Research AI

6. IBM Thomas J. Watson Research Center

7. Yorktown Heights

8. Applied Physics and Applied Mathematics

Abstract

The structure of the drug, represented with a SMILES sequence, is being translated into the structures of possible metabolites that can be formed in the human body.

Funder

Cancer Prevention and Research Institute of Texas

Rice University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC02639E

Reference37 articles.

1. E. Croom , Toxicology and Human Environments , Academic Press , 2012 , vol. 112 , pp. 31 – 88

2. Reactions and enzymes in the metabolism of drugs and other xenobiotics

3. Mechanisms of Drug Toxicity and Relevance to Pharmaceutical Development

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

5. Computational methods and tools to predict cytochrome P450 metabolism for drug discovery

Cited by 26 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Transformers and large language models in healthcare: A review;Artificial Intelligence in Medicine;2024-08

2. MetaPredictor: in silico prediction of drug metabolites based on deep language models with prompt engineering;Briefings in Bioinformatics;2024-07-25

3. Bidirectional Chemical Intelligent Net: A unified deep learning–based framework for predicting chemical reactions;2024-07-25

4. Application of Transformers in Cheminformatics;Journal of Chemical Information and Modeling;2024-05-30

5. Application of artificial intelligence in pharmaceutical development;Novel Formulations and Future Trends;2024