It appears you don't have support to open PDFs in this web browser. To view this file, Open with your PDF reader
Abstract
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/.
You have requested "on-the-fly" machine translation of selected content from our databases. This functionality is provided solely for your convenience and is in no way intended to replace human translation. Show full disclaimer
Neither ProQuest nor its licensors make any representations or warranties with respect to the translations. The translations are automatically generated "AS IS" and "AS AVAILABLE" and are not retained in our systems. PROQUEST AND ITS LICENSORS SPECIFICALLY DISCLAIM ANY AND ALL EXPRESS OR IMPLIED WARRANTIES, INCLUDING WITHOUT LIMITATION, ANY WARRANTIES FOR AVAILABILITY, ACCURACY, TIMELINESS, COMPLETENESS, NON-INFRINGMENT, MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE. Your use of the translations is subject to all use restrictions contained in your Electronic Products License Agreement and by using the translation functionality you agree to forgo any and all claims against ProQuest or its licensors for your use of the translation functionality and any output derived there from. Hide full disclaimer
Details
1 Rheinische Friedrich-Wilhelms-Universität, Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Bonn, Germany (GRID:grid.10388.32) (ISNI:0000 0001 2240 3300)
2 National Autonomous University of Mexico, DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Mexico City, Mexico (GRID:grid.9486.3) (ISNI:0000 0001 2159 0001)
3 Ersilia Open Source Initiative, Cambridge, UK (GRID:grid.9486.3); Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Joint IRB-BSC-CRG Programme in Computational Biology, Barcelona, Spain (GRID:grid.7722.0) (ISNI:0000 0001 1811 6966)
4 International Iberian Nanotechnology Laboratory, Nanosafety Laboratory, Braga, Portugal (GRID:grid.420330.6) (ISNI:0000 0004 0521 6935)
5 University of Erlangen-Nuremberg, Computer-Chemie-Centrum, Erlangen, Germany (GRID:grid.5330.5) (ISNI:0000 0001 2107 3311)
6 National Autonomous University of Mexico, DIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Mexico City, Mexico (GRID:grid.9486.3) (ISNI:0000 0001 2159 0001); Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV), Department of Pharmacology, Mexico City, Mexico (GRID:grid.512574.0)
7 University of Arizona, BIO5 Institute, Tucson, USA (GRID:grid.134563.6) (ISNI:0000 0001 2168 186X)
8 Recursion Pharmaceuticals, Salt Lake City, USA (GRID:grid.505135.7)
9 Chemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), Barcelona, Spain (GRID:grid.5841.8) (ISNI:0000 0004 1937 0247); IMIM Hospital del Mar Medical Research Institute and University Pompeu Fabra, Parc de Recerca Biomedica (PRBB), Research Group on Systems Pharmacology, Research Program on Biomedical Informatics (GRIB), Barcelona, Spain (GRID:grid.20522.37) (ISNI:0000 0004 1767 9005)
10 University of Florida, Department of Chemistry, Gainesville, USA (GRID:grid.15276.37) (ISNI:0000 0004 1936 8091)
11 University of New Mexico School of Medicine, Department of Internal Medicine, Albuquerque, USA (GRID:grid.266832.b) (ISNI:0000 0001 2188 8502); Sahlgrenska Academy at Gothenburg University, Department of Rheumatology and Inflammation Research, Institute of Medicine, Gothenburg, Sweden (GRID:grid.8761.8) (ISNI:0000 0000 9919 9582); University of Copenhagen, Novo Nordisk Foundation Center for Protein Research, Faculty of Health and Medical Sciences, Copenhagen, Denmark (GRID:grid.5254.6) (ISNI:0000 0001 0674 042X); Roivant Discovery Sciences, Inc., Boston, USA (GRID:grid.5254.6)
12 Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV-IPN), Irapuato Unit, Department of Biotechnology and Biochemistry, Irapuato, Mexico (GRID:grid.512574.0)
13 National Autonomous University of Mexico, Chemistry Institute, Mexico City, Mexico (GRID:grid.9486.3) (ISNI:0000 0001 2159 0001)
14 Novartis Institutes for Biomedical Research, Basel, Switzerland (GRID:grid.419481.1) (ISNI:0000 0001 1515 9979)
15 Universidad de Santander, Facultad de Ciencias Médicas y de la Salud, Instituto de Investigación Masira, Santander, Colombia (GRID:grid.442204.4) (ISNI:0000 0004 0486 1035)
16 Chemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), Barcelona, Spain (GRID:grid.5841.8) (ISNI:0000 0004 1937 0247); Unidad Mérida, Universidad Nacional Autónoma de México, Instituto de Química, Ucú, Mexico (GRID:grid.9486.3) (ISNI:0000 0001 2159 0001)
17 São Paulo State University-UNESP, Nuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, Araraquara, Brazil (GRID:grid.410543.7) (ISNI:0000 0001 2188 478X)