Evidence map›Paper›PMID 36461094›Full record

ArticleJournal of cheminformatics2022

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

Jürgen Bajorath, Ana L Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M Maggiora, José L Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres and 9 more

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

12 citing papers in PubMed.

  1. Review
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  10. The IUPHAR/BPS Guide to PHARMACOLOGY in 2024.Nucleic acids research · 2024
    Article
  11. School of cheminformatics in Latin America.Journal of cheminformatics · 2023
    Article
  12. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

19 authors.

Jürgen BajorathDepartment 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.
Ana L Chávez-HernándezDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
Miquel Duran-FrigolaErsilia Open Source Initiative, Cambridge, UK.
Eli Fernández-de GortariNanosafety Laboratory, International Iberian Nanotechnology Laboratory, 4715-330, Braga, Portugal.
Johann GasteigerComputer-Chemie-Centrum, University of Erlangen-Nuremberg, Erlangen, Germany.
Edgar López-LópezDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
Gerald M MaggioraBIO5 Institute, University of Arizona, Tucson, AZ, 85721, USA.
José L Medina-FrancoDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico. medinajl@unam.mx.
Oscar Méndez-LucioRecursion Pharmaceuticals, Salt Lake City, USA.
Jordi MestresChemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), 08028, Barcelona, Catalonia, Spain.
Ramón Alain Miranda-QuintanaDepartment of Chemistry, University of Florida, Gainesville, FL, 32603, USA.
Tudor I OpreaDepartment of Internal Medicine, University of New Mexico School of Medicine, Albuquerque, NM, 87131, USA.
Fabien PlissonDepartment of Biotechnology and Biochemistry, Center for Research and Advanced Studies of the National Polytechnic Institute (CINVESTAV-IPN), Irapuato Unit, 36824, Irapuato, Gto, Mexico.
Fernando D Prieto-MartínezChemistry Institute, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
Raquel Rodríguez-PérezNovartis Institutes for Biomedical Research, 4002, Basel, Switzerland.
Paola Rondón-VillarrealUniversidad de Santander, Facultad de Ciencias Médicas y de la Salud, Instituto de Investigación Masira, Calle 70 No. 55-210, 680003, Santander, Bucaramanga, Colombia.
Fernanda I Saldívar-GonzalezDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, National Autonomous University of Mexico, 04510, Mexico City, Mexico.
Norberto Sánchez-CruzChemotargets SL, Baldiri Reixac 4, Parc Cientific de Barcelona (PCB), 08028, Barcelona, Catalonia, Spain.
Marilia ValliNuclei of Bioassays, Biosynthesis and Ecophysiology of Natural Products (NuBBE), Department of Organic Chemistry, Institute of Chemistry, São Paulo State University-UNESP, Araraquara, Brazil.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

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/ .

Indexed as

ADME profileAntibiotic resistanceArtificial intelligenceCareer developmentDrug discoveryLigand-based drug designMachine learningNatural productsPeptidesStructure-based drug designVirtual screening

Identifiers

PMID36461094
PMCPMC9716667

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.