Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds
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Data
2022-12-01
Autores
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
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Resumo
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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ADME profile, Antibiotic resistance, Artificial intelligence, Career development, Drug discovery, Ligand-based drug design, Machine learning, Natural products, Peptides, Structure-based drug design, Virtual screening
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Journal of Cheminformatics, v. 14, n. 1, 2022.