Chemoinformatics and Artificial Intelligence Colloquium: Progress and Challenges to Develop Bioactive Compounds

29 July 2022, Version 1

Abstract

We report the main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium, Mexico City (virtual), June 15-17, 2022. Fifteen lectures were presented during a virtual and public event with speakers from industry, academia, and non-for-profit organizations. 1,290 participants, including students and academics from more than 60 countries, had registered. 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 and peptides, and antibiotic resistance were discussed. The program, along with the recordings of all sessions, is freely available at https://www.difacquim.com/english/events/2022-colloquium/

Keywords

ADME profile
antibiotic resistance
artificial intelligence
career development
drug discovery
machine learning
ligand-based drug design
natural products
peptides
structure-based drug design
virtual screening

Supplementary weblinks

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