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. 2023 Sep 19;15(1):82.
doi: 10.1186/s13321-023-00758-0.

School of cheminformatics in Latin America

Karla Gonzalez-Ponce  1 , Carolina Horta Andrade  2 , Fiona Hunter  3 , Johannes Kirchmair  4 , Karina Martinez-Mayorga  5   6 , José L Medina-Franco  7 , Matthias Rarey  8 , Alexander Tropsha  9 , Alexandre Varnek  10 , Barbara Zdrazil  3
Affiliations

School of cheminformatics in Latin America

Karla Gonzalez-Ponce et al. J Cheminform. .

Abstract

We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24-25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia, big pharma, and public research institutions. One thousand one hundred eighty-one students and academics from seventy-nine countries registered for the meeting. As part of the meeting, advances in enumeration and visualization of chemical space, applications in natural product-based drug discovery, drug discovery for neglected diseases, toxicity prediction, and general guidelines for data analysis were discussed. Experts from ChEMBL presented a workshop on how to use the resources of this major compounds database used in cheminformatics. The school also included a round table with editors of cheminformatics journals. The full program of the meeting and the recordings of the sessions are publicly available at https://www.youtube.com/@SchoolChemInfLA/featured .

Keywords: ChEMBL; Cheminformatics; Chemography; Computational toxicology; Exploratory data analysis; Latin America; Natural products; On-demand compound catalogs; Zika.

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Conflict of interest statement

The authors declare that they have no competing interests.

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