Chemoinformatics and artificial intelligence colloquium:progress and challenges in developing bioactive compounds
| Autor: | Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-Gonzalez, Norberto Sánchez-Cruz, Marilia Valli |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Virtual screening
Artificial intelligence Natural products Antibiotic resistance Drug discovery ADME profile Library and Information Sciences Computer Graphics and Computer-Aided Design Computer Science Applications Career development Ligand-based drug design Machine learning ddc:000 Structure-based drug design Physical and Theoretical Chemistry Peptides |
| Zdroj: | Bajorath, J, Chávez-Hernández, A L, Duran-Frigola, M, Fernández-de Gortari, E, Gasteiger, J, López-López, E, Maggiora, G M, Medina-Franco, J L, Méndez-Lucio, O, Mestres, J, Miranda-Quintana, R A, Oprea, T I, Plisson, F, Prieto-Martínez, F D, Rodríguez-Pérez, R, Rondón-Villarreal, P, Saldívar-Gonzalez, F I, Sánchez-Cruz, N & Valli, M 2022, ' Chemoinformatics and artificial intelligence colloquium : progress and challenges in developing bioactive compounds ', Journal of Cheminformatics, vol. 14, no. 1, 82 . https://doi.org/10.1186/s13321-022-00661-0 |
| DOI: | 10.1186/s13321-022-00661-0 |
| Popis: | 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/. |
| Databáze: | OpenAIRE |
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