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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds

We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium, Mexico City, June 15–17, 2022. Fifteen lectures were presented during a virtual public event with speakers from industry, academia, and non-for-profit organizations. Twelve hundred and ninety student...

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Autores principales: Bajorath, Jürgen, Chávez-Hernández, Ana L., Duran-Frigola, Miquel, Fernández-de Gortari, Eli, Gasteiger, Johann, López-López, Edgar, Maggiora, Gerald M., Medina-Franco, José L., Méndez-Lucio, Oscar, Mestres, Jordi, Miranda-Quintana, Ramón Alain, Oprea, Tudor I., Plisson, Fabien, Prieto-Martínez, Fernando D., Rodríguez-Pérez, Raquel, Rondón-Villarreal, Paola, Saldívar-Gonzalez, Fernanda I., Sánchez-Cruz, Norberto, Valli, Marilia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9716667/
https://www.ncbi.nlm.nih.gov/pubmed/36461094
http://dx.doi.org/10.1186/s13321-022-00661-0
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author Bajorath, Jürgen
Chávez-Hernández, Ana L.
Duran-Frigola, Miquel
Fernández-de Gortari, Eli
Gasteiger, Johann
López-López, Edgar
Maggiora, Gerald M.
Medina-Franco, José L.
Méndez-Lucio, Oscar
Mestres, Jordi
Miranda-Quintana, Ramón Alain
Oprea, Tudor I.
Plisson, Fabien
Prieto-Martínez, Fernando D.
Rodríguez-Pérez, Raquel
Rondón-Villarreal, Paola
Saldívar-Gonzalez, Fernanda I.
Sánchez-Cruz, Norberto
Valli, Marilia
author_facet Bajorath, Jürgen
Chávez-Hernández, Ana L.
Duran-Frigola, Miquel
Fernández-de Gortari, Eli
Gasteiger, Johann
López-López, Edgar
Maggiora, Gerald M.
Medina-Franco, José L.
Méndez-Lucio, Oscar
Mestres, Jordi
Miranda-Quintana, Ramón Alain
Oprea, Tudor I.
Plisson, Fabien
Prieto-Martínez, Fernando D.
Rodríguez-Pérez, Raquel
Rondón-Villarreal, Paola
Saldívar-Gonzalez, Fernanda I.
Sánchez-Cruz, Norberto
Valli, Marilia
author_sort Bajorath, Jürgen
collection PubMed
description We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium, Mexico City, June 15–17, 2022. Fifteen lectures were presented during a virtual public event with speakers from industry, academia, and non-for-profit organizations. Twelve hundred and ninety students and academics from more than 60 countries. During the meeting, applications, challenges, and opportunities in drug discovery, de novo drug design, ADME-Tox (absorption, distribution, metabolism, excretion and toxicity) property predictions, organic chemistry, peptides, and antibiotic resistance were discussed. The program along with the recordings of all sessions are freely available at https://www.difacquim.com/english/events/2022-colloquium/.
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spelling pubmed-97166672022-12-03 Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds Bajorath, Jürgen Chávez-Hernández, Ana L. Duran-Frigola, Miquel Fernández-de Gortari, Eli Gasteiger, Johann López-López, Edgar Maggiora, Gerald M. Medina-Franco, José L. Méndez-Lucio, Oscar Mestres, Jordi Miranda-Quintana, Ramón Alain Oprea, Tudor I. Plisson, Fabien Prieto-Martínez, Fernando D. Rodríguez-Pérez, Raquel Rondón-Villarreal, Paola Saldívar-Gonzalez, Fernanda I. Sánchez-Cruz, Norberto Valli, Marilia J Cheminform Meeting Report We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium, Mexico City, June 15–17, 2022. Fifteen lectures were presented during a virtual public event with speakers from industry, academia, and non-for-profit organizations. Twelve hundred and ninety students and academics from more than 60 countries. During the meeting, applications, challenges, and opportunities in drug discovery, de novo drug design, ADME-Tox (absorption, distribution, metabolism, excretion and toxicity) property predictions, organic chemistry, peptides, and antibiotic resistance were discussed. The program along with the recordings of all sessions are freely available at https://www.difacquim.com/english/events/2022-colloquium/. Springer International Publishing 2022-12-02 /pmc/articles/PMC9716667/ /pubmed/36461094 http://dx.doi.org/10.1186/s13321-022-00661-0 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis 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
Bajorath, Jürgen
Chávez-Hernández, Ana L.
Duran-Frigola, Miquel
Fernández-de Gortari, Eli
Gasteiger, Johann
López-López, Edgar
Maggiora, Gerald M.
Medina-Franco, José L.
Méndez-Lucio, Oscar
Mestres, Jordi
Miranda-Quintana, Ramón Alain
Oprea, Tudor I.
Plisson, Fabien
Prieto-Martínez, Fernando D.
Rodríguez-Pérez, Raquel
Rondón-Villarreal, Paola
Saldívar-Gonzalez, Fernanda I.
Sánchez-Cruz, Norberto
Valli, Marilia
Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title_full Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title_fullStr Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title_full_unstemmed Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title_short Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
title_sort chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
topic Meeting Report
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9716667/
https://www.ncbi.nlm.nih.gov/pubmed/36461094
http://dx.doi.org/10.1186/s13321-022-00661-0
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