Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios-Reference-Cited by-同舟云学术

Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios

Published:2023-03-23 Issue:7 Volume:63 Page:1914-1924
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Jaume-Santero Fernando¹²,Bornet Alban¹²^ORCID,Valery Alain³,Naderi Nona²⁴,Vicente Alvarez David¹²,Proios Dimitrios¹^ORCID,Yazdani Anthony¹^ORCID,Bournez Colin³^ORCID,Fessard Thomas³,Teodoro Douglas¹²⁴

Affiliation:

1. Department of Radiology and Medical Informatics, University of Geneva, 1205 Geneva, Switzerland

2. Geneva School of Business Administration, HES-SO University of Applied Sciences and Arts of Western Switzerland, 1227 Geneva, Switzerland

3. SpiroChem AG, 4058 Basel, Switzerland

4. Swiss Institute of Bioinformatics, 1015 Lausanne, Switzerland

Funder

Innosuisse - Schweizerische Agentur f?r Innovationsf?rderung

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01407

Reference72 articles.

1. Small molecules, big targets: drug discovery faces the protein–protein interaction challenge

2. Small molecules and their impact in drug discovery: A perspective on the occasion of the 125th anniversary of the Bayer Chemical Research Laboratory

3. Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups

4. The art and practice of structure-based drug design: A molecular modeling perspective

5. Estimation of the size of drug-like chemical space based on GDB-17 data

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