Gesellschaft Deutscher Chemiker
D-Tools: An Open Platform for Research and Education in Chemoinformatics

Vortrag (Präsenzveranstaltung)

D-Tools: An Open Platform for Research and Education in Chemoinformatics

Prof. Dr. José Medina-Franco

DIFACQUIM Tools for Cheminformatics (D-Tools) is an open-access suite that fosters chemoinformatics education and research. Current resources include PUMA, Activity Landscape Plotter, and Epigenetic Target Profiler, supporting tasks such as diversity analysis, activity landscape exploration, peptide library enumeration, and prediction of epigenetic activity. All tools are freely accessible at https://www.difacquim.com/d-tools/ In this talk we highlight three recent additions: 1) a Chemoinformatics GitBook for chemical data retrieval and analysis in Python, 2) BIOMX-DB, a curated database of Mexican natural products, and 3) MAYA (Multiple Activity Analyzer), which constructs chemical multiverses by generating multiple visualizations of compound data sets based on diverse structural descriptors.

Mittwoch, 1. Oktober 2025

14:15 – 16:00

Mittwoch, 1. Oktober 2025

14:15 – 16:00