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School of cheminformatics in Latin America

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...

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Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10507835/
https://www.ncbi.nlm.nih.gov/pubmed/37726809
http://dx.doi.org/10.1186/s13321-023-00758-0
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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
author_facet 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
author_sort Gonzalez-Ponce, Karla
collection PubMed
description 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.
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spelling pubmed-105078352023-09-20 School of cheminformatics in Latin America 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 J Cheminform Meeting Report 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. Springer International Publishing 2023-09-19 /pmc/articles/PMC10507835/ /pubmed/37726809 http://dx.doi.org/10.1186/s13321-023-00758-0 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Meeting Report
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
School of cheminformatics in Latin America
title School of cheminformatics in Latin America
title_full School of cheminformatics in Latin America
title_fullStr School of cheminformatics in Latin America
title_full_unstemmed School of cheminformatics in Latin America
title_short School of cheminformatics in Latin America
title_sort school of cheminformatics in latin america
topic Meeting Report
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10507835/
https://www.ncbi.nlm.nih.gov/pubmed/37726809
http://dx.doi.org/10.1186/s13321-023-00758-0
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