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Manuel Pastor
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2020 – today
- 2024
- [j17]Pablo Rodríguez-Belenguer
, Victor Mangas-Sanjuan
Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis. J. Chem. Inf. Model. 64(7): 2775-2788 (2024) - [j16]Federico Gatti
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
Innovative Digital Forensic and Investigation Tools for Law Enforcement: The EMPOWER & TRACY Approach. AIAI Workshops 2024: 80-93 - 2023
- [j15]Pablo Rodríguez-Belenguer
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
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
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
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
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
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
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
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
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
A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity. J. Chem. Inf. Model. 51(2): 483-492 (2011) - 2010
- [j6]Jana Selent
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
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
Distant collaboration in drug discovery: The LINK3D project. J. Comput. Aided Mol. Des. 16(11): 809-818 (2002) - 2000
- [j2]Juan José Lozano
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
New Developments of EDISFAR Programs. Experimental Design in QSAR Practice. J. Chem. Inf. Comput. Sci. 34(3): 570-575 (1994)
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