Manuel Pastor

Orcid: 0000-0001-8850-1341

According to our database1, Manuel Pastor authored at least 20 papers between 1994 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Links

Online presence:

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Bibliography

2024
A scalable well-balanced numerical scheme for the modeling of two-phase shallow granular landslide consolidation.
J. Comput. Phys., March, 2024

Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis.
J. Chem. Inf. Model., 2024

Innovative Digital Forensic and Investigation Tools for Law Enforcement: The EMPOWER & TRACY Approach.
Proceedings of the Artificial Intelligence Applications and Innovations. AIAI 2024 IFIP WG 12.5 International Workshops, 2024

2023
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
J. Chem. Inf. Model., September, 2023

Application of machine learning to improve the efficiency of electrophysiological simulations used for the prediction of drug-induced ventricular arrhythmia.
Comput. Methods Programs Biomed., March, 2023

2021
Flame: an open source framework for model development, hosting, and usage in production environments.
J. Cheminformatics, 2021

Accelerating the timeline for climate action in California.
CoRR, 2021

2018
In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk.
J. Chem. Inf. Model., 2018

An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies.
Bioinform., 2018

Development and Validation of an In Silico Rabbit Purkinje Cell Action Potential Model: A Step Towards a Drug Safety Testing Tool.
Proceedings of the Computing in Cardiology, 2018

2015
eTOXlab, an open source modeling framework for implementing predictive models in production environments.
J. Cheminformatics, 2015

2014
Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions.
J. Chem. Inf. Model., 2014

2013
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., 2013

2011
A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity.
J. Chem. Inf. Model., 2011

2010
Induced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors.
PLoS Comput. Biol., 2010

2009
Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening.
J. Chem. Inf. Model., 2009

2008
Development and Validation of AMANDA, a New Algorithm for Selecting Highly Relevant Regions in Molecular Interaction Fields.
J. Chem. Inf. Model., 2008

2002
Distant collaboration in drug discovery: The LINK3D project.
J. Comput. Aided Mol. Des., 2002

2000
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., 2000

1994
New Developments of EDISFAR Programs. Experimental Design in QSAR Practice.
J. Chem. Inf. Comput. Sci., 1994


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