Literature DB >> 32001834

Assessing the impact of generative AI on medicinal chemistry.

W Patrick Walters1, Mark Murcko2.   

Abstract

Mesh：

Substances：

Year:  2020        PMID： 32001834     DOI： 10.1038/s41587-020-0418-2

Source DB:  PubMed          Journal:  Nat Biotechnol        ISSN： 1087-0156            Impact factor:   54.908


× No keyword cloud information.
  19 in total

Review 1.  Recent progress on cheminformatics approaches to epigenetic drug discovery.

Authors:  Zoe Sessions; Norberto Sánchez-Cruz; Fernando D Prieto-Martínez; Vinicius M Alves; Hudson P Santos; Eugene Muratov; Alexander Tropsha; José L Medina-Franco
Journal:  Drug Discov Today       Date:  2020-09-30       Impact factor: 7.851

2.  Artificial intelligence foundation for therapeutic science.

Authors:  Kexin Huang; Tianfan Fu; Wenhao Gao; Yue Zhao; Yusuf Roohani; Jure Leskovec; Connor W Coley; Cao Xiao; Jimeng Sun; Marinka Zitnik
Journal:  Nat Chem Biol       Date:  2022-10       Impact factor: 16.174

3.  Semi-supervised Hierarchical Drug Embedding in Hyperbolic Space.

Authors:  Ke Yu; Shyam Visweswaran; Kayhan Batmanghelich
Journal:  J Chem Inf Model       Date:  2020-11-03       Impact factor: 4.956

4.  Derivatization Design of Synthetically Accessible Space for Optimization: In Silico Synthesis vs Deep Generative Design.

Authors:  Gergely M Makara; László Kovács; István Szabó; Gábor Pőcze
Journal:  ACS Med Chem Lett       Date:  2021-01-07       Impact factor: 4.345

5.  DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach.

Authors:  Yash Khemchandani; Stephen O'Hagan; Soumitra Samanta; Neil Swainston; Timothy J Roberts; Danushka Bollegala; Douglas B Kell
Journal:  J Cheminform       Date:  2020-09-04       Impact factor: 5.514

6.  De novo design and bioactivity prediction of SARS-CoV-2 main protease inhibitors using recurrent neural network-based transfer learning.

Authors:  Marcos V S Santana; Floriano P Silva-Jr
Journal:  BMC Chem       Date:  2021-02-02

7.  Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently.

Authors:  Douglas B Kell; Soumitra Samanta; Neil Swainston
Journal:  Biochem J       Date:  2020-12-11       Impact factor: 3.857

Review 8.  Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.

Authors:  José T Moreira-Filho; Arthur C Silva; Rafael F Dantas; Barbara F Gomes; Lauro R Souza Neto; Jose Brandao-Neto; Raymond J Owens; Nicholas Furnham; Bruno J Neves; Floriano P Silva-Junior; Carolina H Andrade
Journal:  Front Immunol       Date:  2021-05-31       Impact factor: 7.561

Review 9.  Will Artificial Intelligence for Drug Discovery Impact Clinical Pharmacology?

Authors:  Alex Zhavoronkov; Quentin Vanhaelen; Tudor I Oprea
Journal:  Clin Pharmacol Ther       Date:  2020-03-03       Impact factor: 6.875

10.  VAE-Sim: A Novel Molecular Similarity Measure Based on a Variational Autoencoder.

Authors:  Soumitra Samanta; Steve O'Hagan; Neil Swainston; Timothy J Roberts; Douglas B Kell
Journal:  Molecules       Date:  2020-07-29       Impact factor: 4.411
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.