Discriminant and quantitative PLS analysis of competitive CYP2C9 inhibitors versus non-inhibitors using alignment independent GRIND descriptors. - Lovisa Afzelius; Collen M. Masimirembwa; Anders Karlén; Tommy B. Andersson; Ismael Zamora (J. Comput. Aided Mol. Des., 2002)

New methods in predictive metabolism. - Scott Boyer; Ismael Zamora (J. Comput. Aided Mol. Des., 2002)

Model based on GRID-derived descriptors for estimating CYP3A4 enzyme stability of potential drug candidates. - Patrizia Crivori; Ismael Zamora; Bill Speed; Christian Orrenius; Italo Poggesi (J. Comput. Aided Mol. Des., 2004)

Virtual Screening and Scaffold Hopping Based on GRID Molecular Interaction Fields. - Marie M. Ahlström; Marianne Ridderström; Kristina Luthman; Ismael Zamora (J. Chem. Inf. Model., 2005)

Exploration of Enzyme-Ligand Interactions in CYP2D6 & 3A4 Homology Models and Crystal Structures Using a Novel Computational Approach. - Britta Kjellander; Collen M. Masimirembwa; Ismael Zamora (J. Chem. Inf. Model., 2007)

SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches. - Rikke Bergmann; Tommy Liljefors; Morten Dahl Sørensen; Ismael Zamora (J. Chem. Inf. Model., 2009)

Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening. - Ángel Durán; Ismael Zamora; Manuel Pastor (J. Chem. Inf. Model., 2009)

WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source. - Tatiana Radchenko; Fabien Fontaine; Luca Morettoni; Ismael Zamora (Bioinform., 2019)

Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase. - Stefano Bonciarelli; Jenny Desantis; Laura Goracci; Lydia Siragusa; Ismael Zamora; Elisabeth Ortega-Carrasco (J. Chem. Inf. Model., 2021)

Efficient Peptide MRM Transition Prediction via Convolutional Hashing. - Ramon Adàlia; Gemma Sanjuan; Tomàs Margalef; Ismael Zamora (ICCS (4), 2025)

The LambdaGap Framework for Precision-Oriented Ranking. - Ramon Adàlia; Gemma Sanjuan; Tomàs Margalef; Ismael Zamora (ACM Trans. Inf. Syst., 2025)