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

Autor: 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.; 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., Fernández-de Gortari E; Nanosafety Laboratory, International Iberian Nanotechnology Laboratory, 4715-330, Braga, Portugal., Gasteiger J; Computer-Chemie-Centrum, University of Erlangen-Nuremberg, Erlangen, Germany., López-López E; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.; Department of Pharmacology, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV), 07360, Mexico City, Mexico., Maggiora GM; BIO5 Institute, University of Arizona, Tucson, AZ, 85721, USA., Medina-Franco JL; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico. medinajl@unam.mx., Méndez-Lucio O; Recursion Pharmaceuticals, Salt Lake City, USA., Mestres J; Chemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), 08028, Barcelona, Catalonia, Spain.; 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., Miranda-Quintana RA; Department of Chemistry, University of Florida, Gainesville, FL, 32603, USA., Oprea TI; Department of Internal Medicine, University of New Mexico School of Medicine, Albuquerque, NM, 87131, USA.; Department of Rheumatology and Inflammation Research, Institute of Medicine, Sahlgrenska Academy at Gothenburg University, 40530, Gothenburg, Sweden.; Novo Nordisk Foundation Center for Protein Research, Faculty of Health and Medical Sciences, University of Copenhagen, 2200, Copenhagen, Denmark.; Roivant Discovery Sciences, Inc., 451 D Street, Boston, MA, 02210, USA., Plisson F; Department of Biotechnology and Biochemistry, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV-IPN), Irapuato Unit, 36824, Irapuato, Gto, Mexico., Prieto-Martínez FD; Chemistry Institute, National Autonomous University of Mexico, 04510, Mexico City, Mexico., Rodríguez-Pérez R; Novartis Institutes for Biomedical Research, 4002, Basel, Switzerland., Rondón-Villarreal P; Universidad de Santander, Facultad de Ciencias Médicas y de la Salud, Instituto de Investigación Masira, Calle 70 No. 55-210, 680003, Santander, Bucaramanga, Colombia., Saldívar-Gonzalez FI; DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico., Sánchez-Cruz N; Chemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), 08028, Barcelona, Catalonia, Spain.; Instituto de Química, Unidad Mérida, Universidad Nacional Autónoma de México, Carretera Mérida-Tetiz Km. 4.5, Yucatán, 97357, Ucú, Mexico., Valli M; Nuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, São Paulo State University-UNESP, Araraquara, Brazil.

Publikováno v: Journal of cheminformatics [J Cheminform] 2022 Dec 02; Vol. 14 (1), pp. 82. Date of Electronic Publication: 2022 Dec 02.