Manuel Pastor

22 papers Journal 20Unranked 2
YearRankTypeTitle / Venue / Authors
2025 J jnl
A Simple Framework for Collaborative Development of Predictive Models Trained on Proprietary Data.
J. Chem. Inf. Model.
Pablo Rodríguez-Belenguer, Alexander Amberg, Frank Bringezu, Markus Frericks, Jennifer Hemmerich, Peter Monecke, Nils Oberhauser, Panuwat Trairatphisan, Manuel Pastor
2025 J jnl
StreamChol: a web-based application for predicting cholestasis.
J. Cheminformatics
Pablo Rodríguez-Belenguer, Emilio Soria-Olivas, Manuel Pastor
2024 J jnl
A scalable well-balanced numerical scheme for the modeling of two-phase shallow granular landslide consolidation.
J. Comput. Phys.
Federico Gatti, Carlo de Falco, Simona Perotto, Luca Formaggia, Manuel Pastor
2024 — conf
Innovative Digital Forensic and Investigation Tools for Law Enforcement: The EMPOWER & TRACY Approach.
AIAI (Workshops)
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, Dorothea Tsatsou, Stefanos Demertzis, Peter Leskovský, Carlos Mendes, Shona Linehan, John Mulcahy, Ioannis Karvelas, Manuel Álvarez Fernández, André Alegria
2024 J jnl
Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis.
J. Chem. Inf. Model.
Pablo Rodríguez-Belenguer, Victor Mangas-Sanjuan, Emilio Soria-Olivas, Manuel Pastor
2023 J jnl
Application of machine learning to improve the efficiency of electrophysiological simulations used for the prediction of drug-induced ventricular arrhythmia.
Comput. Methods Programs Biomed.
Pablo Rodríguez-Belenguer, Karolina Kopanska, Jordi Llopis-Lorente, Beatriz Trénor, Javier Saiz, Manuel Pastor
2023 J jnl
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
J. Chem. Inf. Model.
Olivier J. M. Béquignon, José Carlos 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
2021 J jnl
Accelerating the timeline for climate action in California.
CoRR
Daniel M. Kammen, Teenie Matlock, Manuel Pastor, David Pellow, Veerabhadran Ramanathan, Tom Steyer, Leah Stokes, Feliz Ventura
2021 J jnl
Flame: an open source framework for model development, hosting, and usage in production environments.
J. Cheminformatics
Manuel Pastor, José Carlos Gómez-Tamayo, Ferran Sanz
2018 J jnl
An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies.
Bioinform.
Oriol López-Massaguer, Ferran Sanz, Manuel Pastor
2018 — conf
Development and Validation of an In Silico Rabbit Purkinje Cell Action Potential Model: A Step Towards a Drug Safety Testing Tool.
CinC
Jordi Cano, Julio Gomis-Tena, Alexander Amberg, Lennart Anger, Véronique Ballet, Jean-Michel Guillon, Manuel Pastor, Ferran Sanz, Lucía Romero, Javier Saiz
2018 J jnl
In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk.
J. Chem. Inf. Model.
Lucía Romero, Jordi Cano, Julio Gomis-Tena, Beatriz Trénor, Ferran Sanz, Manuel Pastor, Javier Saiz
2015 J jnl
eTOXlab, an open source modeling framework for implementing predictive models in production environments.
J. Cheminformatics
Pau Carrió, Oriol López, Ferran Sanz, Manuel Pastor
2014 J jnl
Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions.
J. Chem. Inf. Model.
Pau Carrió, Marta Pinto, Gerhard F. Ecker, Ferran Sanz, Manuel Pastor
2013 J jnl
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.
J. Comput. Aided Mol. Des.
Ishrat Jabeen, Penpun Wetwitayaklung, Peter Chiba, Manuel Pastor, Gerhard F. Ecker
2011 J jnl
A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity.
J. Chem. Inf. Model.
Cristian Obiol-Pardo, Julio Gomis-Tena, Ferran Sanz, Javier Saiz, Manuel Pastor
2010 J jnl
Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors.
PLoS Comput. Biol.
Jana Selent, Ferran Sanz, Manuel Pastor, Gianni De Fabritiis
2009 J jnl
Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening.
J. Chem. Inf. Model.
Ángel Durán, Ismael Zamora, Manuel Pastor
2008 J jnl
Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields.
J. Chem. Inf. Model.
Albert Duran, Guillermo C. Martínez, Manuel Pastor
2002 J jnl
Distant collaboration in drug discovery: The LINK3D project.
J. Comput. Aided Mol. Des.
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, Friederike Stoll
2000 J jnl
3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands.
J. Comput. Aided Mol. Des.
Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz
1994 J jnl
New Developments of EDISFAR Programs. Experimental Design in QSAR Practice.
J. Chem. Inf. Comput. Sci.
Manuel Pastor, Julio Alvarez-Builla