Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis-Reference-Cited by-同舟云学术

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

Published:2020-04-03 Issue:16 Volume:63 Page:8667-8682
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Struble Thomas J.¹^ORCID,Alvarez Juan C.²^ORCID,Brown Scott P.³^ORCID,Chytil Milan³^ORCID,Cisar Justin⁴^ORCID,DesJarlais Renee L.⁴^ORCID,Engkvist Ola⁵^ORCID,Frank Scott A.⁶^ORCID,Greve Daniel R.⁷^ORCID,Griffin Daniel J.⁸^ORCID,Hou Xinjun⁹^ORCID,Johannes Jeffrey W.¹⁰^ORCID,Kreatsoulas Constantine¹¹^ORCID,Lahue Brian²^ORCID,Mathea Miriam¹²^ORCID,Mogk Georg¹³^ORCID,Nicolaou Christos A.⁶^ORCID,Palmer Andrew D.¹²^ORCID,Price Daniel J.¹¹^ORCID,Robinson Richard I.¹⁴^ORCID,Salentin Sebastian¹²^ORCID,Xing Li¹⁵^ORCID,Jaakkola Tommi¹⁶^ORCID,Green William. H.¹^ORCID,Barzilay Regina¹⁶^ORCID,Coley Connor W.¹^ORCID,Jensen Klavs F.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States

2. Computational and Structural Chemistry, Merck & Co. Inc., Kenilworth, New Jersey 07033, United States

3. Sunovion Pharmaceuticals Inc., Marlborough, Massachusetts 01752, United States

4. Janssen Research & Development LLC, Spring House, Pennsylvania 19477, United States

5. Hit Discovery, Discovery Sciences, R&D, AstraZeneca, 431 83 Mölndal, Sweden

6. Eli Lilly and Company, Indianapolis, Indiana 46285, United States

7. LEO Pharma A/S, Industriparken 55, DK-2750 Ballerup, Denmark

8. Amgen Inc., Cambridge, Massachusetts 02141, United States

9. Pfizer Inc., Cambridge, Massachusetts 02139, United States

10. Medicinal Chemistry, Early Oncology, Oncology R&D, AstraZeneca, Boston, Massachusetts 02451, United States

11. GlaxoSmithKline, Collegeville, Pennsylvania 19426, United States

12. BASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany

13. Bayer GmbH, D-51368 Leverkusen, Germany

14. Novartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States

15. WuXi AppTec, Cambridge, Massachusetts 02142, United States

16. Computer Science and Artificial Intelligence Laboratory, MIT, Cambridge, Massachusetts 02139, United States

Funder

Defense Advanced Research Projects Agency

MLPDS Consortium

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.9b02120

Reference87 articles.

1. How to improve R&D productivity: the pharmaceutical industry's grand challenge

2. Envisioning the Future: Medicine in the Year 2050

3. Innovation in the pharmaceutical industry: New estimates of R&D costs

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5. Computer-Assisted Design of Complex Organic Syntheses

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