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

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 student...

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Bibliographic Details
Published in:Journal of cheminformatics Vol. 14; no. 1; pp. 82 - 12
Main Authors: 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, Miranda-Quintana, Ramón Alain, Oprea, Tudor I., Plisson, Fabien, Prieto-Martínez, Fernando D., Rodríguez-Pérez, Raquel, Rondón-Villarreal, Paola, Saldívar-Gonzalez, Fernanda I., Sánchez-Cruz, Norberto, Valli, Marilia
Format: Journal Article
Language:English
Published: Cham Springer International Publishing 02.12.2022
BioMed Central Ltd
Springer Nature B.V
BMC
Subjects:
ADME profile
Antibiotic resistance
Antibiotics
Artificial intelligence
Autoimmunitet och inflammation
Autoimmunity and Inflammation
Bioactive compounds
Biocompatibility
Career development
Chemistry
Chemistry and Materials Science
Computational Biology/Bioinformatics
Computer Applications in Chemistry
Deep learning
Documentation and Information in Chemistry
Drug development
Drug discovery
Drug resistance
Ligand-based drug design
Ligands
Machine learning
Meeting Report
Natural products
Open access publishing
Organic chemistry
Peptides
Pharmaceutical industry
Physiological aspects
Process controls
R&D
Research & development
Structure-based drug design
Students
Theoretical and Computational Chemistry
Toxicity
Virtual screening
Mexico
Career development
ADME profile
Structure-based drug design
Peptides
Natural products
Antibiotic resistance
Machine learning
Virtual screening
Drug discovery
Ligand-based drug design
Artificial intelligence
ISSN:1758-2946, 1758-2946
Online Access:Get full text
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Summary: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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ISSN:1758-2946
1758-2946
DOI:10.1186/s13321-022-00661-0