Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Pastor M, Quintana J, Sanz F. Development of an Infrastructure for the Prediction of Biological Endpoints in Industrial Environments. Lessons Learned at the eTOX Project. Front Pharmacol, 2018; 9: 1147. PMID: 30364191 . DOI: 10.3389/fphar.2018.01147.

2018

Original articles in indexed journals - PharmacoInformatics

Radchenko T, Fontaine F, Morettoni L, Zamora I. WebMetabase: cleavage sites analysis tool for natural and unnatural substrates from diverse data source. Bioinformatics, 2018; bty667 . PMID: 30052776 . DOI: 10.1093/bioinformatics/bty667.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

López-Massaguer O, Pinto-Gil K, Sanz F, Amberg A, Anger LT, Stolte M, Ravagli C, Marc P, Pastor M. Generating modelling data from repeat-dose toxicity reports. Toxicol Sci, 2018; 162(1): 287-300. PMID: 29155963 . DOI: 10.1093/toxsci/kfx254.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Romero L, Cano J, Gomis-Tena J, Trenor B, Sanz F, Pastor M, Saiz J. In Silico QT and APD Prolongation Assay for Early Screening of Drug-Induced Proarrhythmic Risk. J Chem Inf Model, 2018; 58(4): 867-878. PMID: 29547274 . DOI: 10.1021/acs.jcim.7b00440.

2018

Original articles in indexed journals - PharmacoInformatics

Nolte TM, Pinto-Gil K, Hendriks AJ, Ragas AMJ, Pastor M. Quantitative structure-activity relationships for primary aerobic biodegradation of organic chemicals in pristine surface waters: starting points for predicting biodegradation under acclimatization. Environ Sci Process Impacts, 2018; 24; 20(1): 157-170. PMID: 29192704 . DOI: 10.1039/c7em00375g.

2018

Original articles in indexed journals - PharmacoInformatics

Delp J, Gutbier S, Klima S, Hoelting L, Pinto-Gil K, Hsieh JH, Aichem M, Klein K, Schreiber F, Tice RR, Pastor M, Behl M, Leist M. A high-throughput approach to identify specific neurotoxicants/ developmental toxicants in human neuronal cell function assays. ALTEX, 2018; 35(2): 235-253. PMID: 29423527 . DOI: 10.14573/altex.1712182.

2018

Original articles in indexed journals - Integrative Biomedical Informatics - Systems Pharmacology - PharmacoInformatics

Sanz F, Pognan F, Steger-Hartmann T, Díaz C, Cases M, Pastor M, Marc P, Wichard J, Briggs K, Watson D, Kleinöder T, Yang C, Amberg A, Beaumont M, Brookes A, Brunak S, Cronin MTD, Ecker GF, Escher S, Greene N, Guzmán A, Hersey A, Jacques P, Lammens L, Mestres J, Muster W, Northeved H, Pinches M, Saiz J, Sajot N, Valencia A, van der Lei J, Vermeulen NPE, Vock E, Wolber G, Zamora I. Legacy data sharing to improve drug safety assessment: the eTOX project. Nature Reviews Drug Discovery, 2017; 16(12): 811-812. PMID: 29026211 . DOI: 10.1038/nrd.2017.177.

2017

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Lopez O, Sanz F, Pastor M. An automated tool for obtaining QSAR-ready series of compounds using semantic web technologies. Bioinformatics, 2017; 34(1): 131-133 . PMID: 28968713 . DOI: 10.1093/bioinformatics/btx566.

2017

Original articles in indexed journals - PharmacoInformatics

Nyffeler J, Dolde X, Krebs A, Pinto-Gil K, Pastor M, Behl M, Waldmann T, Leist M. Combination of multiple neural crest migration assays to identify environmental toxicants from a proof‑of‑concept chemical library. Arch Toxicol, 2017; 91(11): 3613-3632. PMID: 28477266 . DOI: 10.1007/s00204-017-1977-y.

2017

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - GPCR Drug Discovery

Guixà-González R, Albasanz JL, Rodríguez-Espigares I, Pastor M, Sanz F, Martí-Solano M, Manna M, Martínez-Seara H, Hildebrand PW, Martí M, Selent J. Membrane cholesterol access into a G-protein-coupled receptor. Nat Commun, 2017; 8: 14505 . PMID: 28220900 . DOI: 10.1038/ncomms14505.

2017