New Developments of EDISFAR Programs. Experimental Design in QSAR Practice. - Manuel Pastor; Julio Alvarez-Builla (J. Chem. Inf. Comput. Sci., 1994)

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands. - Juan José Lozano; Manuel Pastor; Gabriele Cruciani; Katrin Gaedt; Nuria B. Centeno; Federico Gago; Ferran Sanz (J. Comput. Aided Mol. Des., 2000)

Distant collaboration in drug discovery: The LINK3D project. - Manuel Pastor; Paolo Benedetti; Angelo Carotti; Antonio Carrieri; Carlos Díaz; Cristina Herráiz; Hans-Dieter Höltje; María Isabel Loza; Tudor I. Oprea; Fernando Padín; Francesc Pubill; Ferran Sanz; et al. (J. Comput. Aided Mol. Des., 2002)

Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields. - Albert Duran; Guillermo C. Martínez; Manuel Pastor (J. Chem. Inf. Model., 2008)

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)

Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors. - Jana Selent; Ferran Sanz; Manuel Pastor; Gianni De Fabritiis (PLoS Comput. Biol., 2010)

A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity. - Cristian Obiol-Pardo; Julio Gomis-Tena; Ferran Sanz; Javier Saiz; Manuel Pastor (J. Chem. Inf. Model., 2011)

2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3, 4b][1, 4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein. - Ishrat Jabeen; Penpun Wetwitayaklung; Peter Chiba; Manuel Pastor; Gerhard F. Ecker (J. Comput. Aided Mol. Des., 2013)

Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions. - Pau Carrió; Marta Pinto; Gerhard F. Ecker; Ferran Sanz; Manuel Pastor (J. Chem. Inf. Model., 2014)

eTOXlab, an open source modeling framework for implementing predictive models in production environments. - Pau Carrió; Oriol López; Ferran Sanz; Manuel Pastor (J. Cheminformatics, 2015)

Development and Validation of an In Silico Rabbit Purkinje Cell Action Potential Model: A Step Towards a Drug Safety Testing Tool. - Jordi Cano; Julio Gomis-Tena; Alexander Amberg; Lennart Anger; Véronique Ballet; Jean-Michel Guillon; Manuel Pastor; Ferran Sanz; Lucía Romero 001; Javier Saiz (CinC, 2018)

An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies. - Oriol López-Massaguer; Ferran Sanz; Manuel Pastor (Bioinform., 2018)

In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk. - Lucía Romero 001; Jordi Cano; Julio Gomis-Tena; Beatriz Trénor; Ferran Sanz; Manuel Pastor; Javier Saiz (J. Chem. Inf. Model., 2018)

Accelerating the timeline for climate action in California. - Daniel M. Kammen; Teenie Matlock; Manuel Pastor; David Pellow; Veerabhadran Ramanathan; Tom Steyer; Leah Stokes; Feliz Ventura (CoRR, 2021)

Flame: an open source framework for model development, hosting, and usage in production environments. - Manuel Pastor; José C. Gómez-Tamayo; Ferran Sanz (J. Cheminformatics, 2021)

Application of machine learning to improve the efficiency of electrophysiological simulations used for the prediction of drug-induced ventricular arrhythmia. - Pablo Rodríguez-Belenguer; Karolina Kopanska; Jordi Llopis-Lorente; Beatriz Trénor; Javier Saiz; Manuel Pastor (Comput. Methods Programs Biomed., 2023)

Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. - Olivier J. M. Béquignon; Jose C. Gómez-Tamayo; Eelke B. Lenselink; Steven Wink; Steven Hiemstra; Chi Chung Lam; Domenico Gadaleta; Alessandra Roncaglioni; Ulf Norinder; Bob van de Water; Manuel Pastor; Gerard J. P. van Westen (J. Chem. Inf. Model., 2023)

Innovative Digital Forensic and Investigation Tools for Law Enforcement: The EMPOWER & TRACY Approach. - Nikos Avgerinos; Panagiotis Mertis; Manolis Tsagaris; Nikos Desipris; George L. Lyberopoulos; Elina Theodoropoulou; Konstantinos Filis; Jelena Sarajlic; Manuel Pastor; Despoina Chatzakou; George Kalpakis; Christos Chatzikonstantinou; et al. (AIAI (Workshops), 2024)

Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis. - Pablo Rodríguez-Belenguer; Victor Mangas-Sanjuan; Emilio Soria-Olivas; Manuel Pastor (J. Chem. Inf. Model., 2024)

A scalable well-balanced numerical scheme for the modeling of two-phase shallow granular landslide consolidation. - Federico Gatti; Carlo de Falco; Simona Perotto; Luca Formaggia; Manuel Pastor (J. Comput. Phys., 2024)

StreamChol: a web-based application for predicting cholestasis. - Pablo Rodríguez-Belenguer; Emilio Soria-Olivas; Manuel Pastor (J. Cheminformatics, 2025)