Literature DB >> 30488727

Closed-loop discovery platform integration is needed for artificial intelligence to make an impact in drug discovery.

Semion K Saikin1,2, Christoph Kreisbeck1, Dennis Sheberla2, Jill S Becker2, Aspuru-Guzik A2,3,4.   

Abstract

Keywords:  Inverse design; closed loop; generative adversarial network; machine learning; variational autoencoder

Year:  2018        PMID： 30488727     DOI： 10.1080/17460441.2019.1546690

Source DB:  PubMed          Journal:  Expert Opin Drug Discov        ISSN： 1746-0441            Impact factor:   6.098


× No keyword cloud information.
  4 in total

Review 1.  QSAR without borders.

Authors:  Eugene N Muratov; Jürgen Bajorath; Robert P Sheridan; Igor V Tetko; Dmitry Filimonov; Vladimir Poroikov; Tudor I Oprea; Igor I Baskin; Alexandre Varnek; Adrian Roitberg; Olexandr Isayev; Stefano Curtarolo; Denis Fourches; Yoram Cohen; Alan Aspuru-Guzik; David A Winkler; Dimitris Agrafiotis; Artem Cherkasov; Alexander Tropsha
Journal:  Chem Soc Rev       Date:  2020-05-01       Impact factor: 54.564

2.  Closing the Loop: Developing an Integrated Design, Make, and Test Platform for Discovery.

Authors:  David M Parry
Journal:  ACS Med Chem Lett       Date:  2019-05-15       Impact factor: 4.345

3.  Chemical space exploration based on recurrent neural networks: applications in discovering kinase inhibitors.

Authors:  Xuanyi Li; Yinqiu Xu; Hequan Yao; Kejiang Lin
Journal:  J Cheminform       Date:  2020-06-08       Impact factor: 5.514

Review 4.  Progress and prospects for accelerating materials science with automated and autonomous workflows.

Authors:  Helge S Stein; John M Gregoire
Journal:  Chem Sci       Date:  2019-09-20       Impact factor: 9.825
  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.