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Manuel Pastor
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2020 – today
- 2024
- [j17]Pablo Rodríguez-Belenguer, Victor Mangas-Sanjuan, Emilio Soria-Olivas, Manuel Pastor:
Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis. J. Chem. Inf. Model. 64(7): 2775-2788 (2024) - [j16]Federico Gatti, Carlo de Falco, Simona Perotto, Luca Formaggia, Manuel Pastor:
A scalable well-balanced numerical scheme for the modeling of two-phase shallow granular landslide consolidation. J. Comput. Phys. 501: 112798 (2024) - [c2]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:
Innovative Digital Forensic and Investigation Tools for Law Enforcement: The EMPOWER & TRACY Approach. AIAI Workshops 2024: 80-93 - 2023
- [j15]Pablo Rodríguez-Belenguer, Karolina Kopanska, Jordi Llopis-Lorente, Beatriz Trénor, Javier Saiz, Manuel Pastor:
Application of machine learning to improve the efficiency of electrophysiological simulations used for the prediction of drug-induced ventricular arrhythmia. Comput. Methods Programs Biomed. 230: 107345 (2023) - [j14]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:
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. J. Chem. Inf. Model. 63(17): 5433-5445 (2023) - 2021
- [j13]Manuel Pastor, José C. Gómez-Tamayo, Ferran Sanz:
Flame: an open source framework for model development, hosting, and usage in production environments. J. Cheminformatics 13(1): 31 (2021) - [i1]Daniel M. Kammen, Teenie Matlock, Manuel Pastor, David Pellow, Veerabhadran Ramanathan, Tom Steyer, Leah Stokes, Feliz Ventura:
Accelerating the timeline for climate action in California. CoRR abs/2103.07801 (2021)
2010 – 2019
- 2018
- [j12]Oriol López-Massaguer, Ferran Sanz, Manuel Pastor:
An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies. Bioinform. 34(1): 131-133 (2018) - [j11]Lucía Romero, Jordi Cano, Julio Gomis-Tena, Beatriz Trénor, Ferran Sanz, Manuel Pastor, Javier Saiz:
In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk. J. Chem. Inf. Model. 58(4): 867-878 (2018) - [c1]Jordi Cano, Julio Gomis-Tena, Alexander Amberg, Lennart Anger, Véronique Ballet, Jean-Michel Guillon, Manuel Pastor, Ferran Sanz, Lucía Romero, Javier Saiz:
Development and Validation of an In Silico Rabbit Purkinje Cell Action Potential Model: A Step Towards a Drug Safety Testing Tool. CinC 2018: 1-4 - 2015
- [j10]Pau Carrió, Oriol López, Ferran Sanz, Manuel Pastor:
eTOXlab, an open source modeling framework for implementing predictive models in production environments. J. Cheminformatics 7: 8 (2015) - 2014
- [j9]Pau Carrió, Marta Pinto, Gerhard F. Ecker, Ferran Sanz, Manuel Pastor:
Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions. J. Chem. Inf. Model. 54(5): 1500-1511 (2014) - 2013
- [j8]Ishrat Jabeen, Penpun Wetwitayaklung, Peter Chiba, Manuel Pastor, Gerhard F. Ecker:
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. 27(2): 161-171 (2013) - 2011
- [j7]Cristian Obiol-Pardo, Julio Gomis-Tena, Ferran Sanz, Javier Saiz, Manuel Pastor:
A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity. J. Chem. Inf. Model. 51(2): 483-492 (2011) - 2010
- [j6]Jana Selent, Ferran Sanz, Manuel Pastor, Gianni De Fabritiis:
Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors. PLoS Comput. Biol. 6(8) (2010)
2000 – 2009
- 2009
- [j5]Ángel Durán, Ismael Zamora, Manuel Pastor:
Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening. J. Chem. Inf. Model. 49(9): 2129-2138 (2009) - 2008
- [j4]Albert Duran, Guillermo C. Martínez, Manuel Pastor:
Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields. J. Chem. Inf. Model. 48(9): 1813-1823 (2008) - 2002
- [j3]Manuel Pastor, Paolo Benedetti, Angelo Carotti, Antonio Carrieri, Carlos Díaz, Cristina Herráiz, Hans-Dieter Höltje, Maria Isabel Loza, Tudor I. Oprea, Fernando Padín, Francesc Pubill, Ferran Sanz, Friederike Stoll:
Distant collaboration in drug discovery: The LINK3D project. J. Comput. Aided Mol. Des. 16(11): 809-818 (2002) - 2000
- [j2]Juan José Lozano, Manuel Pastor, Gabriele Cruciani, Katrin Gaedt, Nuria B. Centeno, Federico Gago, Ferran Sanz:
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. 14(4): 341-353 (2000)
1990 – 1999
- 1994
- [j1]Manuel Pastor, Julio Alvarez-Builla:
New Developments of EDISFAR Programs. Experimental Design in QSAR Practice. J. Chem. Inf. Comput. Sci. 34(3): 570-575 (1994)
Coauthor Index
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