Predicting enzymatic reactions with a molecular transformer-Reference-Cited by-同舟云学术

Predicting enzymatic reactions with a molecular transformer

Published:2021 Issue: Volume: Page:
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Kreutter David¹²³⁴^ORCID,Schwaller Philippe¹²³⁴⁵^ORCID,Reymond Jean-Louis¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry, Biochemistry and Pharmaceutical Sciences

2. University of Bern

3. 3012 Bern

4. Switzerland

5. IBM Research Europe

Abstract

The enzymatic transformer was trained with a combination of patent reactions and biotransformations and predicts the structure and stereochemistry of enzyme-catalyzed reaction products with remarkable accuracy.

Funder

Novartis

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D1SC02362D

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1. Role of Biocatalysis in Sustainable Chemistry

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3. Directed Evolution: Bringing New Chemistry to Life

4. Neural Networks for the Prediction of Organic Chemistry Reactions

5. Retrosynthetic Reaction Prediction Using Neural Sequence-to-Sequence Models

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