Development of an infrastructure for the prediction of biological endpoints in industrial environments. Lessons learned at the eTOX Project

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  • dc.contributor.author Pastor Maeso, Manuel
  • dc.contributor.author Quintana, Jordi
  • dc.contributor.author Sanz, Ferran
  • dc.date.accessioned 2018-11-28T15:04:13Z
  • dc.date.available 2018-11-28T15:04:13Z
  • dc.date.issued 2018
  • dc.description.abstract In silico methods are increasingly being used for assessing the chemical safety of substances, as a part of integrated approaches involving in vitro and in vivo experiments. A paradigmatic example of these strategies is the eTOX project http://www.etoxproject.eu, funded by the European Innovative Medicines Initiative (IMI), which aimed at producing high quality predictions of in vivo toxicity of drug candidates and resulted in generating about 200 models for diverse endpoints of toxicological interest. In an industry-oriented project like eTOX, apart from the predictive quality, the models need to meet other quality parameters related to the procedures for their generation and their intended use. For example, when the models are used for predicting the properties of drug candidates, the prediction system must guarantee the complete confidentiality of the compound structures. The interface of the system must be designed to provide non-expert users all the information required to choose the models and appropriately interpret the results. Moreover, procedures like installation, maintenance, documentation, validation and versioning, which are common in software development, must be also implemented for the models and for the prediction platform in which they are implemented. In this article we describe our experience in the eTOX project and the lessons learned after 7 years of close collaboration between industrial and academic partners. We believe that some of the solutions found and the tools developed could be useful for supporting similar initiatives in the future.
  • dc.description.sponsorship The eTOX project (Grant Agreement No. 115002), was developed under the Innovative Medicines Initiative Joint Undertaking (IMI), resources of which are composed of a financial contribution from the European Union’s Seventh Framework Programme (FP7/2007-2013) and EFPIA companies’ in kind contributions. The authors of this article are also involved in other related IMI projects, such as iPiE (no. 115735), TransQST (no. 116030) and eTRANSAFE (no. 777365), as well as the H2020 EU-ToxRisk project (no. 681002)
  • dc.format.mimetype application/pdf
  • dc.identifier.citation 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 Oct 11;9:1147. DOI: 10.3389/fphar.2018.01147
  • dc.identifier.doi http://dx.doi.org/10.3389/fphar.2018.01147
  • dc.identifier.issn 1663-9812
  • dc.identifier.uri http://hdl.handle.net/10230/35879
  • dc.language.iso eng
  • dc.publisher Frontiers Media
  • dc.relation.ispartof Frontiers in Pharmacology. 2018 Oct 11;9:1147
  • dc.relation.projectID info:eu-repo/grantAgreement/EC/FP7/115002
  • dc.relation.projectID info:eu-repo/grantAgreement/EC/FP7/115735
  • dc.relation.projectID info:eu-repo/grantAgreement/EC/H2020/116030
  • dc.relation.projectID info:eu-repo/grantAgreement/EC/H2020/777365
  • dc.relation.projectID info:eu-repo/grantAgreement/EC/H2020/681002
  • dc.rights © 2018 Pastor, Quintana and Sanz. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY)
  • dc.rights.accessRights info:eu-repo/semantics/openAccess
  • dc.rights.uri http://creativecommons.org/licenses/by/4.0/
  • dc.subject.other Toxicologia
  • dc.subject.other Indústries químiques -- Mesures de seguretat
  • dc.subject.other Medicaments -- Mesures de seguretat
  • dc.subject.other Aprenentatge automàtic
  • dc.title Development of an infrastructure for the prediction of biological endpoints in industrial environments. Lessons learned at the eTOX Project
  • dc.type info:eu-repo/semantics/article
  • dc.type.version info:eu-repo/semantics/publishedVersion

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