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Drug Discovery Today|May 29, 2024
Toward structure-multiple activity relationships (SMARts) using computational approaches: A polypharmacological perspectiveEdgar López-López, José L Medina-FrancoBiomolecules|January 21, 2023
Towards Decoding Hepatotoxicity of Approved Drugs through Navigation of Multiverse and Consensus Chemical SpacesEdgar López-López, José L Medina-FrancoJournal of Computer-Aided Molecular Design|December 2, 2025
MetAP DB and Metal-FP: a database and fingerprint framework for advancing metal-based drug discoveryEdgar López-López, José L Medina-FrancoJournal of Chemical Information and Modeling|December 31, 2020
Informatics for Chemistry, Biology, and Biomedical SciencesEdgar López-López, Jürgen Bajorath, José L Medina-FrancoJournal of Cheminformatics|June 13, 2026
CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithmEdgar López-López, José L Medina-Franco, Filip MiljkovićDrug Discovery Today|September 27, 2019
Reaching for the bright StARs in chemical spaceJosé L Medina-Franco, J Jesús Naveja, Edgar López-LópezExpert Opinion on Drug Discovery|February 27, 2019
DataWarrior: an evaluation of the open-source drug discovery toolEdgar López-López, J Jesús Naveja, José L Medina-FrancoJournal of Computer-Aided Molecular Design|February 16, 2020
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approachEdgar López-López, Obdulia Rabal, Julen Oyarzabal, et al.Drug Discovery Today|May 13, 2022
Yes SIR! On the structure-inactivity relationships in drug discoveryEdgar López-López, Eli Fernández-de Gortari, José L Medina-FrancoMolecular Informatics|April 30, 2026
Constellation Plots in KNIME: An Automated Scaffold-Based Workflow for Interactive Chemical Space VisualizationCarlos D Ramírez-Márquez, Edgar López-López, José L Medina-FrancoPageof 4