Similarity based enzymatic retrosynthesis-Reference-Cited by-同舟云学术

Similarity based enzymatic retrosynthesis

Published:2022 Issue:20 Volume:13 Page:6039-6053
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Sankaranarayanan Karthik¹^ORCID,Heid Esther¹²^ORCID,Coley Connor W.¹^ORCID,Verma Deeptak³^ORCID,Green William H.¹^ORCID,Jensen Klavs F.¹^ORCID

Affiliation:

1. Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA

2. Institute of Materials Chemistry, TU Wien, 1060 Vienna, Austria

3. Computational and Structural Chemistry, Discovery Chemistry, Merck & Co., Inc., Kenilworth, NJ 07033, USA

Abstract

Using a large database of enzymatic transformations, similarity based enzymatic retrosynthesis search algorithm takes a holistic approach to enzymatic synthesis planning to yield a diverse set of single-step suggestions.

Funder

Austrian Science Fund

Defense Advanced Research Projects Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SC/D2SC01588A

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