The pursuit of accurate predictive models of the bioactivity of small molecules-Reference-Cited by-同舟云学术

The pursuit of accurate predictive models of the bioactivity of small molecules

Published:2024 Issue:6 Volume:15 Page:1938-1952
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Martinez-Mayorga Karina¹²^ORCID,Rosas-Jiménez José G.³,Gonzalez-Ponce Karla¹,López-López Edgar⁴⁵^ORCID,Neme Antonio²^ORCID,Medina-Franco José L.⁵^ORCID

Affiliation:

1. Institute of Chemistry, Merida Unit, National Autonomous University of Mexico, Merida-Tetiz Highway, Km. 4.5, Ucu, Yucatan, Mexico

2. Institute for Applied Mathematics and Systems, Merida Research Unit, National Autonomous University of Mexico, Sierra Papacal, Merida, Yucatan, Mexico

3. Department of Theoretical Biophysics, IMPRS on Cellular Biophysics, Max-von-Laue Strasse 3, Frankfurt am Main, 60438, Germany

4. Department of Chemistry and Graduate Program in Pharmacology, Center for Research and Advanced Studies of the National Polytechnic Institute, Mexico City 07000, Mexico

5. DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry National Autonomous University of Mexico, Mexico City 04510, Mexico

Abstract

Each step in model development affects its accuracy.

Funder

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D3SC05534E

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