Cargando…

Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development

Pharmacometric analyses are complex and multifactorial. It is essential to check, track, and document the vast amounts of data and metadata that are generated during these analyses (and the relationships between them) in order to comply with regulations, support quality control, auditing, and report...

Descripción completa

Detalles Bibliográficos
Autores principales: Wilkins, JJ, Chan, PLS, Chard, J, Smith, G, Smith, MK, Beer, M, Dunn, A, Flandorfer, C, Franklin, C, Gomeni, R, Harnisch, L, Kaye, R, Moodie, S, Sardu, ML, Wang, E, Watson, E, Wolstencroft, K, Cheung, SYA
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445227/
https://www.ncbi.nlm.nih.gov/pubmed/28504472
http://dx.doi.org/10.1002/psp4.12171
_version_ 1783238841956564992
author Wilkins, JJ
Chan, PLS
Chard, J
Smith, G
Smith, MK
Beer, M
Dunn, A
Flandorfer, C
Franklin, C
Gomeni, R
Harnisch, L
Kaye, R
Moodie, S
Sardu, ML
Wang, E
Watson, E
Wolstencroft, K
Cheung, SYA
author_facet Wilkins, JJ
Chan, PLS
Chard, J
Smith, G
Smith, MK
Beer, M
Dunn, A
Flandorfer, C
Franklin, C
Gomeni, R
Harnisch, L
Kaye, R
Moodie, S
Sardu, ML
Wang, E
Watson, E
Wolstencroft, K
Cheung, SYA
author_sort Wilkins, JJ
collection PubMed
description Pharmacometric analyses are complex and multifactorial. It is essential to check, track, and document the vast amounts of data and metadata that are generated during these analyses (and the relationships between them) in order to comply with regulations, support quality control, auditing, and reporting. It is, however, challenging, tedious, error‐prone, and time‐consuming, and diverts pharmacometricians from the more useful business of doing science. Automating this process would save time, reduce transcriptional errors, support the retention and transfer of knowledge, encourage good practice, and help ensure that pharmacometric analyses appropriately impact decisions. The ability to document, communicate, and reconstruct a complete pharmacometric analysis using an open standard would have considerable benefits. In this article, the Innovative Medicines Initiative (IMI) Drug Disease Model Resources (DDMoRe) consortium proposes a set of standards to facilitate the capture, storage, and reporting of knowledge (including assumptions and decisions) in the context of model‐informed drug discovery and development (MID3), as well as to support reproducibility: “Thoughtflow.” A prototype software implementation is provided.
format Online
Article
Text
id pubmed-5445227
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher John Wiley and Sons Inc.
record_format MEDLINE/PubMed
spelling pubmed-54452272017-05-30 Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development Wilkins, JJ Chan, PLS Chard, J Smith, G Smith, MK Beer, M Dunn, A Flandorfer, C Franklin, C Gomeni, R Harnisch, L Kaye, R Moodie, S Sardu, ML Wang, E Watson, E Wolstencroft, K Cheung, SYA CPT Pharmacometrics Syst Pharmacol White Paper Pharmacometric analyses are complex and multifactorial. It is essential to check, track, and document the vast amounts of data and metadata that are generated during these analyses (and the relationships between them) in order to comply with regulations, support quality control, auditing, and reporting. It is, however, challenging, tedious, error‐prone, and time‐consuming, and diverts pharmacometricians from the more useful business of doing science. Automating this process would save time, reduce transcriptional errors, support the retention and transfer of knowledge, encourage good practice, and help ensure that pharmacometric analyses appropriately impact decisions. The ability to document, communicate, and reconstruct a complete pharmacometric analysis using an open standard would have considerable benefits. In this article, the Innovative Medicines Initiative (IMI) Drug Disease Model Resources (DDMoRe) consortium proposes a set of standards to facilitate the capture, storage, and reporting of knowledge (including assumptions and decisions) in the context of model‐informed drug discovery and development (MID3), as well as to support reproducibility: “Thoughtflow.” A prototype software implementation is provided. John Wiley and Sons Inc. 2017-05-15 2017-05 /pmc/articles/PMC5445227/ /pubmed/28504472 http://dx.doi.org/10.1002/psp4.12171 Text en © 2017 The Authors CPT: Pharmacometrics & Systems Pharmacology published by Wiley Periodicals, Inc. on behalf of American Society for Clinical Pharmacology and Therapeutics. This is an open access article under the terms of the Creative Commons Attribution‐NonCommercial (http://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle White Paper
Wilkins, JJ
Chan, PLS
Chard, J
Smith, G
Smith, MK
Beer, M
Dunn, A
Flandorfer, C
Franklin, C
Gomeni, R
Harnisch, L
Kaye, R
Moodie, S
Sardu, ML
Wang, E
Watson, E
Wolstencroft, K
Cheung, SYA
Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title_full Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title_fullStr Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title_full_unstemmed Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title_short Thoughtflow: Standards and Tools for Provenance Capture and Workflow Definition to Support Model‐Informed Drug Discovery and Development
title_sort thoughtflow: standards and tools for provenance capture and workflow definition to support model‐informed drug discovery and development
topic White Paper
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5445227/
https://www.ncbi.nlm.nih.gov/pubmed/28504472
http://dx.doi.org/10.1002/psp4.12171
work_keys_str_mv AT wilkinsjj thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT chanpls thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT chardj thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT smithg thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT smithmk thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT beerm thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT dunna thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT flandorferc thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT franklinc thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT gomenir thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT harnischl thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT kayer thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT moodies thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT sarduml thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT wange thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT watsone thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT wolstencroftk thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT cheungsya thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment
AT thoughtflowstandardsandtoolsforprovenancecaptureandworkflowdefinitiontosupportmodelinformeddrugdiscoveryanddevelopment