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Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.
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.
Afiliación
  • Bajorath J; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Friedrich-Hirzebruch-Allee 5/6, 53113, Bonn, Germany.
  • Chávez-Hernández AL; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
  • Duran-Frigola M; Ersilia Open Source Initiative, Cambridge, UK.
  • Fernández-de Gortari E; Joint IRB-BSC-CRG Programme in Computational Biology, Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Barcelona, Catalonia, Spain.
  • Gasteiger J; Nanosafety Laboratory, International Iberian Nanotechnology Laboratory, 4715-330, Braga, Portugal.
  • López-López E; Computer-Chemie-Centrum, University of Erlangen-Nuremberg, Erlangen, Germany.
  • Maggiora GM; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
  • Medina-Franco JL; Department of Pharmacology, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV), 07360, Mexico City, Mexico.
  • Méndez-Lucio O; BIO5 Institute, University of Arizona, Tucson, AZ, 85721, USA.
  • Mestres J; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico. medinajl@unam.mx.
  • Miranda-Quintana RA; Recursion Pharmaceuticals, Salt Lake City, USA.
  • Oprea TI; Chemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), 08028, Barcelona, Catalonia, Spain.
  • Plisson F; Research Group on Systems Pharmacology, Research Program on Biomedical Informatics (GRIB), IMIM Hospital del Mar Medical Research Institute and University Pompeu Fabra, Parc de Recerca Biomedica (PRBB), 08003, Barcelona, Catalonia, Spain.
  • Prieto-Martínez FD; Department of Chemistry, University of Florida, Gainesville, FL, 32603, USA.
  • Rodríguez-Pérez R; Department of Internal Medicine, University of New Mexico School of Medicine, Albuquerque, NM, 87131, USA.
  • Rondón-Villarreal P; Department of Rheumatology and Inflammation Research, Institute of Medicine, Sahlgrenska Academy at Gothenburg University, 40530, Gothenburg, Sweden.
  • Saldívar-Gonzalez FI; Novo Nordisk Foundation Center for Protein Research, Faculty of Health and Medical Sciences, University of Copenhagen, 2200, Copenhagen, Denmark.
  • Sánchez-Cruz N; Roivant Discovery Sciences, Inc., 451 D Street, Boston, MA, 02210, USA.
  • Valli M; Department of Biotechnology and Biochemistry, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV-IPN), Irapuato Unit, 36824, Irapuato, Gto, Mexico.
J Cheminform ; 14(1): 82, 2022 Dec 02.
Article en En | MEDLINE | ID: mdl-36461094
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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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Cheminform Año: 2022 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Reino Unido
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Cheminform Año: 2022 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Reino Unido