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School of cheminformatics in Latin America.

Karla Gonzalez-Ponce¹, Carolina Horta Andrade², Fiona Hunter³

¹Institute of Chemistry, Campus Merida, National Autonomous University of Mexico, Merida‑Tetiz Highway, Km. 4.5, Ucu, Yucatan, Mexico.

Journal of Cheminformatics

|September 19, 2023

Summary

The School of Cheminformatics in Latin America convened experts to discuss chemical space, drug discovery, and data analysis. Recordings are available online, offering valuable insights for students and academics globally.

Keywords:

ChEMBL Cheminformatics Chemography Computational toxicology Exploratory data analysis Latin America Natural products On-demand compound catalogs Zika

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Area of Science:

Cheminformatics
Drug Discovery
Computational Chemistry

Background:

The School of Cheminformatics in Latin America provided a platform for knowledge exchange.
The event aimed to foster advancements in cheminformatics and its applications.

Purpose of the Study:

To highlight key discussions and outcomes from the School of Cheminformatics.
To disseminate recent advances in chemical space analysis, drug discovery, and data science.

Main Methods:

The event featured six lectures, a workshop, and a roundtable discussion.
Presentations covered chemical space enumeration, visualization, and applications in drug discovery.
A workshop focused on utilizing the ChEMBL database for cheminformatics research.

Main Results:

Over 1181 students and academics from 79 countries registered for the online event.
Discussions included natural product-based drug discovery, neglected diseases, and toxicity prediction.
A roundtable with journal editors provided insights into scientific publishing in cheminformatics.

Conclusions:

The school successfully brought together international experts and learners in cheminformatics.
Key topics covered are crucial for advancing drug discovery and chemical data analysis.
Educational resources, including session recordings, are publicly accessible for continued learning.