Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
Bajorath J, Chávez-Hernández AL, Duran-Frigola M, Fernández-de Gortari E, Gasteiger J, López-López E, Maggiora GM, Medina-Franco JL, Méndez-Lucio O, Mestres J, Miranda-Quintana RA, Oprea TI, Plisson F, Prieto-Martínez FD, Rodríguez-Pérez R, Rondón-Villarreal P, Saldívar-Gonzalez FI, Sánchez-Cruz N, Valli M (2022)
Publication Type: Journal article
Publication year: 2022
Journal
Book Volume: 14
Article Number: 82
Journal Issue: 1
DOI: 10.1186/s13321-022-00661-0
Abstract
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/.
Authors with CRIS profile
Involved external institutions
Rheinische Friedrich-Wilhelms-Universität Bonn
Germany (DE)
National Autonomous University of Mexico / Universidad Nacional Autónoma de México (UNAM)
Mexico (MX)
University of Cambridge
United Kingdom (GB)
INL - International Iberian Nanotechnology Laboratory
Portugal (PT)
University of Arizona
United States (USA) (US)
Recursion Pharmaceuticals, Inc
United States (USA) (US)
Chemotargets
Spain (ES)
University of Florida
United States (USA) (US)
University of New Mexico (UNM) / Universidad de Nuevo México
United States (USA) (US)
Center for Research and Advanced Studies of the National Polytechnic Institute / Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (CINVESTAV-IPN)
Mexico (MX)
Novartis AG
Switzerland (CH)
Clinica FOSCAL - Fundación Oftalmológica de Santander
Colombia (CO)
São Paulo State University / Universidade Estadual Paulista "Júlio de Mesquita Filho" (UNESP)
Brazil (BR)
Germany (DE)
National Autonomous University of Mexico / Universidad Nacional Autónoma de México (UNAM)
Mexico (MX)
University of Cambridge
United Kingdom (GB)
INL - International Iberian Nanotechnology Laboratory
Portugal (PT)
University of Arizona
United States (USA) (US)
Recursion Pharmaceuticals, Inc
United States (USA) (US)
Chemotargets
Spain (ES)
University of Florida
United States (USA) (US)
University of New Mexico (UNM) / Universidad de Nuevo México
United States (USA) (US)
Center for Research and Advanced Studies of the National Polytechnic Institute / Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (CINVESTAV-IPN)
Mexico (MX)
Novartis AG
Switzerland (CH)
Clinica FOSCAL - Fundación Oftalmológica de Santander
Colombia (CO)
São Paulo State University / Universidade Estadual Paulista "Júlio de Mesquita Filho" (UNESP)
Brazil (BR)
How to cite
APA:
Bajorath, J., Chávez-Hernández, A.L., Duran-Frigola, M., Fernández-de Gortari, E., Gasteiger, J., López-López, E.,... Valli, M. (2022). Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds. Journal of Cheminformatics , 14(1). https://dx.doi.org/10.1186/s13321-022-00661-0
MLA:
Bajorath, Jürgen, et al. "Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds." Journal of Cheminformatics 14.1 (2022).
BibTeX: Download