School of cheminformatics in Latin America

Author:

Gonzalez-Ponce Karla,Horta Andrade Carolina,Hunter Fiona,Kirchmair Johannes,Martinez-Mayorga Karina,Medina-Franco José L.,Rarey Matthias,Tropsha Alexander,Varnek Alexandre,Zdrazil Barbara

Abstract

AbstractWe 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.

Funder

Universidad Nacional Autónoma de México

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

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