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Literature DB >> 29026211

Legacy data sharing to improve drug safety assessment: the eTOX project.

Ferran Sanz¹, François Pognan², Thomas Steger-Hartmann³, Carlos Díaz⁴, Montserrat Cases⁴, Manuel Pastor¹, Philippe Marc², Joerg Wichard³, Katharine Briggs⁵, David K Watson⁵, Thomas Kleinöder⁶, Chihae Yang⁶, Alexander Amberg⁷, Maria Beaumont⁸, Anthony J Brookes⁹, Søren Brunak¹⁰, Mark T D Cronin¹¹, Gerhard F Ecker¹², Sylvia Escher¹³, Nigel Greene¹⁴, Antonio Guzmán¹⁵, Anne Hersey¹⁶, Pascale Jacques¹⁷, Lieve Lammens¹⁸, Jordi Mestres¹⁹, Wolfgang Muster²⁰, Helle Northeved²¹, Marc Pinches²², Javier Saiz²³, Nicolas Sajot²⁴, Alfonso Valencia²⁵, Johan van der Lei²⁶, Nico P E Vermeulen²⁷, Esther Vock²⁸, Gerhard Wolber²⁹, Ismael Zamora³⁰.

Abstract

The sharing of legacy preclinical safety data among pharmaceutical companies and its integration with other information sources offers unprecedented opportunities to improve the early assessment of drug safety. Here, we discuss the experience of the eTOX project, which was established through the Innovative Medicines Initiative to explore this possibility.

Mesh：

Year: 2017 PMID： 29026211 DOI： 10.1038/nrd.2017.177

Source DB: PubMed Journal: Nat Rev Drug Discov ISSN： 1474-1776 Impact factor: 84.694

5 in total

1. Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models.

Authors: Mark Hewitt; Claire M Ellison; Mark T D Cronin; Manuel Pastor; Thomas Steger-Hartmann; Jordi Munoz-Muriendas; Francois Pognan; Judith C Madden
Journal: Adv Drug Deliv Rev Date: 2015-03-18 Impact factor: 15.470

2. Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions.

Authors: Pau Carrió; Marta Pinto; Gerhard Ecker; Ferran Sanz; Manuel Pastor
Journal: J Chem Inf Model Date: 2014-05-13 Impact factor: 4.956

3. A multiscale simulation system for the prediction of drug-induced cardiotoxicity.

Authors: Cristian Obiol-Pardo; Julio Gomis-Tena; Ferran Sanz; Javier Saiz; Manuel Pastor
Journal: J Chem Inf Model Date: 2011-01-20 Impact factor: 4.956

Review 4. Management of organic impurities in small molecule medicinal products: Deriving safe limits for use in early development.

Authors: James Harvey; Andrew Fleetwood; Ron Ogilvie; Andrew Teasdale; Phil Wilcox; Steven Spanhaak
Journal: Regul Toxicol Pharmacol Date: 2016-12-27 Impact factor: 3.271

5. Hepatotoxicity prediction by systems biology modeling of disturbed metabolic pathways using gene expression data.

Authors: Pablo Carbonell; Oriol Lopez; Alexander Amberg; Manuel Pastor; Ferran Sanz
Journal: ALTEX Date: 2016-09-30 Impact factor: 6.043

5 in total

16 in total

1. Development of In Silico Methods for Toxicity Prediction in Collaboration Between Academia and the Pharmaceutical Industry.

Authors: Manuel Pastor; Ferran Sanz; Frank Bringezu
Journal: Methods Mol Biol Date: 2022

Review 2. Systematic indication extension for drugs using patient stratification insights generated by combinatorial analytics.

Authors: Sayoni Das; Krystyna Taylor; Simon Beaulah; Steve Gardner
Journal: Patterns (N Y) Date: 2022-06-10

Review 3. In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways.

Authors: Jennifer Hemmerich; Gerhard F Ecker
Journal: Wiley Interdiscip Rev Comput Mol Sci Date: 2020-03-31

9. Development of an Infrastructure for the Prediction of Biological Endpoints in Industrial Environments. Lessons Learned at the eTOX Project.

Authors: Manuel Pastor; Jordi Quintana; Ferran Sanz
Journal: Front Pharmacol Date: 2018-10-11 Impact factor: 5.810

Review 10. A Review on Applications of Computational Methods in Drug Screening and Design.

Authors: Xiaoqian Lin; Xiu Li; Xubo Lin
Journal: Molecules Date: 2020-03-18 Impact factor: 4.411

Legacy data sharing to improve drug safety assessment: the eTOX project.

1. Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models.

2. Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions.

3. A multiscale simulation system for the prediction of drug-induced cardiotoxicity.

Review 4. Management of organic impurities in small molecule medicinal products: Deriving safe limits for use in early development.

5. Hepatotoxicity prediction by systems biology modeling of disturbed metabolic pathways using gene expression data.

1. Development of In Silico Methods for Toxicity Prediction in Collaboration Between Academia and the Pharmaceutical Industry.

Review 2. Systematic indication extension for drugs using patient stratification insights generated by combinatorial analytics.

Review 3. In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways.

4. Use of big data in drug development for precision medicine: an update.

5. An open source chemical structure curation pipeline using RDKit.

6. The European Innovative Medicines Initiative: Progress to Date.

7. 3S - Systematic, systemic, and systems biology and toxicology.

8. BRADSHAW: a system for automated molecular design.

9. Development of an Infrastructure for the Prediction of Biological Endpoints in Industrial Environments. Lessons Learned at the eTOX Project.

Review 10. A Review on Applications of Computational Methods in Drug Screening and Design.