School of cheminformatics in Latin America
Abstract We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24–25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia, big pharma, and public research ins...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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BMC
2023-09-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-023-00758-0 |
| _version_ | 1797556880899309568 |
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| author | Karla Gonzalez-Ponce Carolina Horta Andrade Fiona Hunter Johannes Kirchmair Karina Martinez-Mayorga José L. Medina-Franco Matthias Rarey Alexander Tropsha Alexandre Varnek Barbara Zdrazil |
| author_facet | Karla Gonzalez-Ponce Carolina Horta Andrade Fiona Hunter Johannes Kirchmair Karina Martinez-Mayorga José L. Medina-Franco Matthias Rarey Alexander Tropsha Alexandre Varnek Barbara Zdrazil |
| author_sort | Karla Gonzalez-Ponce |
| collection | DOAJ |
| description | Abstract We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24–25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia, big pharma, and public research institutions. One thousand one hundred eighty-one students and academics from seventy-nine countries registered for the meeting. As part of the meeting, advances in enumeration and visualization of chemical space, applications in natural product-based drug discovery, drug discovery for neglected diseases, toxicity prediction, and general guidelines for data analysis were discussed. Experts from ChEMBL presented a workshop on how to use the resources of this major compounds database used in cheminformatics. The school also included a round table with editors of cheminformatics journals. The full program of the meeting and the recordings of the sessions are publicly available at https://www.youtube.com/@SchoolChemInfLA/featured . |
| first_indexed | 2024-03-10T17:09:20Z |
| format | Article |
| id | doaj.art-c9a69d2acfea4f7f825f83006b877516 |
| institution | Directory Open Access Journal |
| issn | 1758-2946 |
| language | English |
| last_indexed | 2024-03-10T17:09:20Z |
| publishDate | 2023-09-01 |
| publisher | BMC |
| record_format | Article |
| series | Journal of Cheminformatics |
| spelling | doaj.art-c9a69d2acfea4f7f825f83006b8775162023-11-20T10:43:31ZengBMCJournal of Cheminformatics1758-29462023-09-011511810.1186/s13321-023-00758-0School of cheminformatics in Latin AmericaKarla Gonzalez-Ponce0Carolina Horta Andrade1Fiona Hunter2Johannes Kirchmair3Karina Martinez-Mayorga4José L. Medina-Franco5Matthias Rarey6Alexander Tropsha7Alexandre Varnek8Barbara Zdrazil9Institute of Chemistry, Campus Merida, National Autonomous University of MexicoLabMol – Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de GoiasEuropean Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome CampusDivision of Pharmaceutical Chemistry, Department of Pharmaceutical Sciences, University of ViennaInstitute of Chemistry, Campus Merida, National Autonomous University of MexicoDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of MexicoZBH - Center for Bioinformatics, Universität HamburgMolecular Modeling Laboratory, UNC Eshelman School of Pharmacy, University of North Carolina at Chapel HillLaboratoire d’Infochimie, UMR 7177 CNRS, Université de StrasbourgEuropean Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome CampusAbstract We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24–25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia, big pharma, and public research institutions. One thousand one hundred eighty-one students and academics from seventy-nine countries registered for the meeting. As part of the meeting, advances in enumeration and visualization of chemical space, applications in natural product-based drug discovery, drug discovery for neglected diseases, toxicity prediction, and general guidelines for data analysis were discussed. Experts from ChEMBL presented a workshop on how to use the resources of this major compounds database used in cheminformatics. The school also included a round table with editors of cheminformatics journals. The full program of the meeting and the recordings of the sessions are publicly available at https://www.youtube.com/@SchoolChemInfLA/featured .https://doi.org/10.1186/s13321-023-00758-0Exploratory data analysisChemographyOn-demand compound catalogsNatural productsChEMBLZika |
| spellingShingle | Karla Gonzalez-Ponce Carolina Horta Andrade Fiona Hunter Johannes Kirchmair Karina Martinez-Mayorga José L. Medina-Franco Matthias Rarey Alexander Tropsha Alexandre Varnek Barbara Zdrazil School of cheminformatics in Latin America Journal of Cheminformatics Exploratory data analysis Chemography On-demand compound catalogs Natural products ChEMBL Zika |
| title | School of cheminformatics in Latin America |
| title_full | School of cheminformatics in Latin America |
| title_fullStr | School of cheminformatics in Latin America |
| title_full_unstemmed | School of cheminformatics in Latin America |
| title_short | School of cheminformatics in Latin America |
| title_sort | school of cheminformatics in latin america |
| topic | Exploratory data analysis Chemography On-demand compound catalogs Natural products ChEMBL Zika |
| url | https://doi.org/10.1186/s13321-023-00758-0 |
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