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Results 1 - 10 of about 131

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

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Pastor M, Gómez-Tamayo JC, Sanz F. Flame: an open source framework for model development, hosting, and usage in production environments. J Cheminform, 2021; 13(1): 31 DOI: https://doi.org/10.1186/s13321-021-00509-z.

2021

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Pognan F, Steger-Hartmann T, Díaz C, Blomberg N, Bringezu F, Briggs K, Callegaro G, Capella-Gutierrez S, Centeno E, Corvi J, Drew P, Drewe WC, Fernández JM, Furlong LI, Guney E, Kors JA, Mayer MA, Pastor M, Piñero J, Ramírez-Anguita JM, Ronzano F, Rowell P, Saüch-Pitarch J, Valencia A, van de Water B, van der Lei J, van Mulligen E, Sanz F. The eTRANSAFE Project on Translational Safety Assessment through Integrative Knowledge Management: Achievements and Perspectives. Pharmaceuticals (Basel), 2021; 14(3):237 DOI: 10.3390/ph14030237.

2021

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Briggs K, Bosc N, Camara T, Diaz C, Drew P, Drewe WC, Kors J, Van Mulligen E, Pastor M, Pognan F, Quintana JR, Sarntivijai S, Steger-Hartmann T. Guidelines for FAIR sharing of preclinical safety and off-target pharmacology data. ALTEX, 2021 . PMID: 33637997 . DOI: 10.14573/altex.2011181.

2021

Original articles in indexed journals - PharmacoInformatics

Cotrina EY, Blasi D, Vilà M, Planas A, Abad-Zapatero C, Centeno NB, Quintana J, Arsequell G. Optimization of kinetic stabilizers of tetrameric transthyretin: A prospective ligand efficiency-guided approach. Bioorg Med Chem, 2020; 28(23):115794. doi: 10.1016/j.bmc.2020.115794. PMID:. PMID: 33091848 . DOI: 10.1016/j.bmc.2020.115794.

2020

Original articles in indexed journals - PharmacoInformatics

Krebs A, van Vugt-Lussenburg BMA, Waldmann T et al (including Pastor M). The EU-ToxRisk method documentation, data processing and chemical testing pipeline for the regulatory use of new approach methods. Arch Toxicol, 2020. PMID: 32632539 . DOI: https://doi.org/10.1007/s00204-020-02802-6.

2020

Original articles in indexed journals - PharmacoInformatics

Rovida C, Barton-Maclaren T, Benfenati E, Caloni F, Chandrasekera C, Chesne C, Cronin M, De Knecht J, Dietrich D, Escher S, Fitzpatrick S, Flannery B, Herzler M, Hougaard Bennekou S, Hubesch B, Kamp H, Kisitu J, Kleinstreuer N, Kovarich S, Leist M, Maertens A, Nugent K, Pallocca G, Pastor M, Patlewicz G, Pavan M, Presgrave O, Smirnova L, Schwarz M, Yamada T, Hartung T. Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology. ALTEX, 2020.. PMID: 32369604 . DOI: 10.14573/altex.1912181.

2020

PhD Thesis - PharmacoInformatics

Pinto K. Development and Validation of Pharmacoinformatic Similarity-based Tools for the Safety Assessment of Chemicals.  Universitat Pompeu Fabra. January  31st,  2020. Thesis Director: Pastor M.   

2020

Original articles in indexed journals - PharmacoInformatics

Krebs A, Nyffeler J, Karreman C, Schmidt BZ, Kappenberg F, Mellert J, Pallocca G, Pastor M, Rahnenführer J, Leist M. Determination of benchmark concentrations and their statistical uncertainty for cytotoxicity test data and functional in vitro assays. ALTEX, 2020; 37 (1): 155-163. PMID: 31833558 . DOI: 10.14573/altex.1912021.

2020

Original articles in indexed journals - PharmacoInformatics

Escher SE*, Kamp H, Bennekou SH, Bitsch A, Fisher C, Graepel R, Hengstler JG, Herzler M, Knight D, Leist M, Norinder U, Ouédraogo G, Pastor M, Stuard S, White A, Zdrazil B, van de Water B, Kroese D. Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project. Arch Toxicol, 2019; 93(12): 3643-3667.. PMID: 31781791 . DOI: 10.1007/s00204-019-02591-7.

2019



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