Autonomous Molecular Design: Then and Now-Reference-Cited by-同舟云学术

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Autonomous Molecular Design: Then and Now

Published:2019-03-25 Issue:28 Volume:11 Page:24825-24836
ISSN:1944-8244
Container-title:ACS Applied Materials & Interfaces
language:en
Short-container-title:ACS Appl. Mater. Interfaces

Author:

Dimitrov Tanja¹^ORCID,Kreisbeck Christoph¹²,Becker Jill S.¹,Aspuru-Guzik Alán¹³^ORCID,Saikin Semion K.¹²^ORCID

Affiliation:

1. Kebotix, Inc., 501 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

2. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States

3. Department of Chemistry and Department of Computer Science, University of Toronto, Toronto, Ontario M5S 3H6, Canada

Publisher

American Chemical Society (ACS)

Subject

General Materials Science

Link

https://pubs.acs.org/doi/pdf/10.1021/acsami.9b01226

Reference123 articles.

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

2. Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

3. Estimation of the size of drug-like chemical space based on GDB-17 data

4. Deep learning

5. Taking the Human Out of the Loop: A Review of Bayesian Optimization

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