Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries-Reference-Cited by-同舟云学术

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries

Published:2020-07-13 Issue:12 Volume:60 Page:5699-5713
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Amabilino Silvia¹,Pogány Peter²^ORCID,Pickett Stephen D.²^ORCID,Green Darren V. S.²

Affiliation:

1. School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, United Kingdom

2. Computational Sciences, GlaxoSmithKline, Gunnels Wood Road, Stevenage, Herts SG1 2NY, United Kingdom

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.0c00343

Reference67 articles.

1. Computer-based de novo design of drug-like molecules

2. Hartenfeller, M.; Schneider, G. In Chemoinformatics and Computational Chemical Biology; Bajorath, J., Ed. Humana Press: Totowa, NJ, 2011; pp 299–323.

3. The art and practice of structure-based drug design: A molecular modeling perspective

4. Virtual screening—an overview

5. Virtual Chemical Libraries

Cited by 44 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. Knowledge-reused transfer learning for molecular and materials science;Journal of Energy Chemistry;2024-11

2. Discovery of novel quinoline papain-like protease inhibitors for COVID-19 through topology constrained molecular generative model;2024-09-09

3. Navigating the frontier of drug-like chemical space with cutting-edge generative AI models;Drug Discovery Today;2024-09

4. Design and discovery of monopolar spindle kinase 1 (MPS1/TTK) inhibitors by computational approaches;Medicinal Chemistry Research;2024-07-24

5. PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models;Journal of Cheminformatics;2024-07-04