Illuminating elite patches of chemical space-Reference-Cited by-同舟云学术

Illuminating elite patches of chemical space

Published:2020 Issue:42 Volume:11 Page:11485-11491
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Verhellen Jonas¹²³⁴^ORCID,Van den Abeele Jeriek⁵²³⁴^ORCID

Affiliation:

1. Centre for Integrative Neuroplasticity

2. University of Oslo

3. N-0316 Oslo

4. Norway

5. Department of Physics

Abstract

We report a novel algorithm that produces a large diversity of high-performing molecules, illuminates the distribution of optimal solutions, and improves search efficiency compared to both machine learning and genetic algorithm approaches.

Funder

Livsvitenskap, Universitetet i Oslo

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/SC/D0SC03544K

Reference59 articles.

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