Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Mortier et al (including Pastor M, Leis A, Mayer MA, Ramirez-Anguita JM and Sanz F). Developing a clinical decision supportsystem software prototype that assists in themanagement of patients with self-harm in theemergency department: protocol of the PERMANENS project. BMC Psychiatry (2024) 24:220 DOI: 10.1186/s12888-024-05659-6.

2024

Original articles in indexed journals - PharmacoInformatics

Rodríguez-Belenguer P, Mangas-Sanjuan V, Soria-Olivas E, Pastor M. Integrating Mechanistic and Toxicokinetic Information in Predictive Models of Cholestasis. J Chem Inf Model, 2023. PMID: 37660324 . DOI: 10.1021/acs.jcim.3c00945.

2023

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Sanz F, Pognan F, Steger-Hartmann T, Díaz C, Asakura S, Amberg A, Bécourt-Lhote N, Blomberg N, Bosc N, Briggs K, Bringezu F, Brulle-Wohlhueter C, Brunak S, Bueters R, Callegaro G, Capella-Gutierrez S, Centeno E, Corvi J, Cronin MTD, Drew P, Duchateau-Nguyen G, Ecker GF, Escher S, Felix E, Ferreiro M, Frericks M, Furlong LI, Geiger R, George C, Grandits M, Ivanov-Draganov D, Kilgour-Christie J, Kiziloren T, Kors JA, Koyama N, Kreuchwig A, Leach AR, Mayer MA, Monecke P, Muster W, Nakazawa CM, Nicholson G, Parry R, Pastor M, Piñero J, Oberhauser N, Ramírez-Anguita JM, Rodrigo A, Smajic A, Schaefer M, Schieferdecker S, Soininen I, Terricabras E, Trairatphisan P, Turner SC, Valencia A, van de Water B, van der Lei JL, van Mulligen EM, Vock E, Wilkinson D. eTRANSAFE: data science to empower translational safety assessment. Nat Rev Drug Discov, 2023; 22(8): 605-606. PMID: 37316648 . DOI: 10.1038/d41573-023-00099-5.

2023

Original articles in indexed journals - PharmacoInformatics

Kopańska K, Rodríguez-Belenguer P, Llopis-Lorente J, Trenor B, Saiz J, Pastor M. Uncertainty assessment of proarrhythmia predictions derived from multi-level in silico models. Arch Toxicol, 2023. PMID: 37528229 . DOI: 10.1007/s00204-023-03557-6.

2023

Original articles in indexed journals - PharmacoInformatics

Béquignon OJM, Gómez-Tamayo JC, Lenselink EB, Wink S, Hiemstra S, Lam CC, Gadaleta D, Roncaglioni A, Norinder U, Water BV, Pastor M, van Westen GJP. Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells. J Chem Inf Model, 2023. PMID: 37616385 . DOI: 10.1021/acs.jcim.3c00220.

2023

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Cronin M. T, Belfield S, Briggs K. A, Enoch S, Firman J, Frericks M, Garrard C, Maccallum P, Madden J, Pastor M, Sanz F, Soininen I, Sousoni, D. (2023). Making in silico predictive models for toxicology FAIR. Regulatory Toxicology and Pharmacology, 105385.. PMID: 37037390 . DOI: 10.1016/j.yrtph.2023.105385.

2023

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

March-Vila E, Ferretti G, Terricabras E, Ardao I, Brea JM, Varela MJ, Arana Á, Rubiolo JA, Sanz F, Loza MI, Sánchez L, Alonso H, Pastor M. A continuous in silico learning strategy to identify safety liabilities in compounds used in the leather and textile industry. Arch Toxicol, 2023; 97:1091-1111. PMID: 36781432 . DOI: 10.1007/s00204-023-03459-7.

2023

Original articles in indexed journals - PharmacoInformatics

Rodríguez-Belenguer P, Kopańska K, Llopis-Lorente J, Trenor B, Saiz J, Pastor M. Application of machine learning to improve the efficiency of electrophysiological simulations used for the prediction of drug-induced ventricular arrhythmia. Comput Methods Programs Biomed, 2023; 230: 107345. PMID: 36689808 . DOI: 10.1016/j.cmpb.2023.107345.

2023

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Pastor M, Sanz F, Bringezu F. Development of In Silico Methods for Toxicity Prediction in Collaboration Between Academia and the Pharmaceutical Industry. Methods in molecular biology, 2022; 2425: 119-131. PMID: 35188630 . DOI: 10.1007/978-1-0716-1960-5_5.

2022

Original articles in indexed journals - PharmacoInformatics

Bringezua F, Gómez-Tamayo JC, Pastor M. Ensemble prediction of mitochondrial toxicity using machine learning technology. Computational Toxicology, 2021; 20 DOI: 10.1016/j.comtox.2021.100189.

2021