RetroDMTA: Back to the Future of Lead Optimization

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Pablo Mas, Bruno Filoche-Rommé, Marc Bianciotto, Rodolphe Vuilleumier
DOI: 10.5281/zenodo.18758006
Cited by: 0

Abstract

This code, coined RetroDMTA, allows reproducing the results presented in our manuscript "Back to the Future of Lead Optimization: Benchmarking Compound Prioritization Strategies" that is available on chemrxiv ( https://doi.org/10.26434/chemrxiv-2025-5kc10 ) and under submission.

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science Protein Degradation and Inhibitors

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
24 February 2026
Language
EN