Theoretical and Computational Chemistry

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

Authors

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/

Version notes

In the second version, the text was further edited and expanded to explain the points raised during the meeting in more detail. In order to enrich the discussion, additional references were included. Two key co-authors were added.

Content

Thumbnail image of Meeting report_UNAM_June 2022 (V7)_8ago22.pdf

Supplementary weblinks

The program along with the recordings of all sessions
Fifteen lectures were presented during a virtual and public event with speakers from industry, academia, and non-for-profit organizations. The link includes all the recordings of the talks and discussions.