Machine learning the ropes: principles, applications and directions in synthetic chemistry-Reference-Cited by-同舟云学术

Machine learning the ropes: principles, applications and directions in synthetic chemistry

Published:2020 Issue:17 Volume:49 Page:6154-6168
ISSN:0306-0012
Container-title:Chemical Society Reviews
language:en
Short-container-title:Chem. Soc. Rev.

Author:

Strieth-Kalthoff Felix¹²³⁴,Sandfort Frederik¹²³⁴,Segler Marwin H. S.¹²³⁴^ORCID,Glorius Frank¹²³⁴^ORCID

Affiliation:

1. Westfälische Wilhelms-Universität Münster

2. Organisch-Chemisches Institut

3. 48149 Münster

4. Germany

Abstract

Chemists go ML! This tutorial review provides easy access to the fundamentals of machine learning from a synthetic chemist's perspective. Its diverse applications for molecular design, synthesis planning, or reactivity prediction are summarized.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CS/C9CS00786E

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