4.6 Editorial Material

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

Journal

JOURNAL OF CHEMINFORMATICS
Volume 14, Issue 1, Pages -

Publisher

BMC
DOI: 10.1186/s13321-022-00661-0

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

Funding

  1. School of Chemistry of the National Autonomous University of Mexico

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The main conclusions of the first Chemoinformatics and Artificial Intelligence Colloquium include discussions on applications, challenges, and opportunities in drug discovery, de novo drug design, ADME-Tox property predictions, organic chemistry, peptides, and antibiotic resistance. The event attracted speakers from industry, academia, and non-for-profit organizations, as well as 1290 students and academics from over 60 countries.
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.

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