Literature DB >> 24441647

An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines.

Andrea de Souza1, Joshua A Bittker1, David L Lahr1, Steve Brudz1, Simon Chatwin1, Tudor I Oprea2, Anna Waller2, Jeremy J Yang2, Noel Southall3, Rajarshi Guha3, Stephan C Schürer4, Uma D Vempati4, Mark R Southern5, Eric S Dawson6, Paul A Clemons1, Thomas D Y Chung7.   

Abstract

Recent industry-academic partnerships involve collaboration among disciplines, locations, and organizations using publicly funded "open-access" and proprietary commercial data sources. These require the effective integration of chemical and biological information from diverse data sources, which presents key informatics, personnel, and organizational challenges. The BioAssay Research Database (BARD) was conceived to address these challenges and serve as a community-wide resource and intuitive web portal for public-sector chemical-biology data. Its initial focus is to enable scientists to more effectively use the National Institutes of Health Roadmap Molecular Libraries Program (MLP) data generated from the 3-year pilot and 6-year production phases of the Molecular Libraries Probe Production Centers Network (MLPCN), which is currently in its final year. BARD evolves the current data standards through structured assay and result annotations that leverage BioAssay Ontology and other industry-standard ontologies, and a core hierarchy of assay definition terms and data standards defined specifically for small-molecule assay data. We initially focused on migrating the highest-value MLP data into BARD and bringing it up to this new standard. We review the technical and organizational challenges overcome by the interdisciplinary BARD team, veterans of public- and private-sector data-integration projects, who are collaborating to describe (functional specifications), design (technical specifications), and implement this next-generation software solution.
© 2014 Society for Laboratory Automation and Screening.

Entities:  

Keywords:  Chemical biological database standards; visualization; web portal

Mesh:

Substances:

Year:  2014        PMID: 24441647      PMCID: PMC4468040          DOI: 10.1177/1087057113517139

Source DB:  PubMed          Journal:  J Biomol Screen        ISSN: 1087-0571


  48 in total

1.  Chemistry's web of data expands.

Authors:  Richard Van Noorden
Journal:  Nature       Date:  2012-03-27       Impact factor: 49.962

Review 2.  Ligand.Info small-molecule Meta-Database.

Authors:  Marcin von Grotthuss; Grzegorz Koczyk; Jakub Pas; Lucjan S Wyrwicz; Leszek Rychlewski
Journal:  Comb Chem High Throughput Screen       Date:  2004-12       Impact factor: 1.339

3.  ChemDB update--full-text search and virtual chemical space.

Authors:  Jonathan H Chen; Erik Linstead; S Joshua Swamidass; Dennis Wang; Pierre Baldi
Journal:  Bioinformatics       Date:  2007-06-28       Impact factor: 6.937

4.  Improvements in the NIOSH registry of toxic effects of chemical substances.

Authors:  J C Fang; A E Friedman; W E MacDonald; R J Lewis; R L Tatken
Journal:  Drug Chem Toxicol       Date:  1980       Impact factor: 3.356

5.  UniProt Knowledgebase: a hub of integrated protein data.

Authors:  Michele Magrane
Journal:  Database (Oxford)       Date:  2011-03-29       Impact factor: 3.451

6.  Cytoscape 2.8: new features for data integration and network visualization.

Authors:  Michael E Smoot; Keiichiro Ono; Johannes Ruscheinski; Peng-Liang Wang; Trey Ideker
Journal:  Bioinformatics       Date:  2010-12-12       Impact factor: 6.937

7.  PubChem's BioAssay Database.

Authors:  Yanli Wang; Jewen Xiao; Tugba O Suzek; Jian Zhang; Jiyao Wang; Zhigang Zhou; Lianyi Han; Karen Karapetyan; Svetlana Dracheva; Benjamin A Shoemaker; Evan Bolton; Asta Gindulyte; Stephen H Bryant
Journal:  Nucleic Acids Res       Date:  2011-12-02       Impact factor: 16.971

8.  DrugBank: a comprehensive resource for in silico drug discovery and exploration.

Authors:  David S Wishart; Craig Knox; An Chi Guo; Savita Shrivastava; Murtaza Hassanali; Paul Stothard; Zhan Chang; Jennifer Woolsey
Journal:  Nucleic Acids Res       Date:  2006-01-01       Impact factor: 16.971

9.  PubChem: a public information system for analyzing bioactivities of small molecules.

Authors:  Yanli Wang; Jewen Xiao; Tugba O Suzek; Jian Zhang; Jiyao Wang; Stephen H Bryant
Journal:  Nucleic Acids Res       Date:  2009-06-04       Impact factor: 16.971

10.  Assessing drug target association using semantic linked data.

Authors:  Bin Chen; Ying Ding; David J Wild
Journal:  PLoS Comput Biol       Date:  2012-07-05       Impact factor: 4.475

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  10 in total

Review 1.  Reporting biological assay screening results for maximum impact.

Authors:  Evan Bolton
Journal:  Drug Discov Today Technol       Date:  2015-05-02

2.  BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types.

Authors:  E A Howe; A de Souza; D L Lahr; S Chatwin; P Montgomery; B R Alexander; D-T Nguyen; Y Cruz; D A Stonich; G Walzer; J T Rose; S C Picard; Z Liu; J N Rose; X Xiang; J Asiedu; D Durkin; J Levine; J J Yang; S C Schürer; J C Braisted; N Southall; M R Southern; T D Y Chung; S Brudz; C Tanega; S L Schreiber; J A Bittker; R Guha; P A Clemons
Journal:  Nucleic Acids Res       Date:  2014-12-04       Impact factor: 16.971

Review 3.  Integrating phenotypic small-molecule profiling and human genetics: the next phase in drug discovery.

Authors:  Cory M Johannessen; Paul A Clemons; Bridget K Wagner
Journal:  Trends Genet       Date:  2014-12-12       Impact factor: 11.639

4.  Connecting Small Molecules with Similar Assay Performance Profiles Leads to New Biological Hypotheses.

Authors:  Vlado Dančík; Hyman Carrel; Nicole E Bodycombe; Kathleen Petri Seiler; Dina Fomina-Yadlin; Stefan T Kubicek; Kimberly Hartwell; Alykhan F Shamji; Bridget K Wagner; Paul A Clemons
Journal:  J Biomol Screen       Date:  2014-01-24

5.  Parallel worlds of public and commercial bioactive chemistry data.

Authors:  Christopher A Lipinski; Nadia K Litterman; Christopher Southan; Antony J Williams; Alex M Clark; Sean Ekins
Journal:  J Med Chem       Date:  2014-12-04       Impact factor: 7.446

6.  Badapple: promiscuity patterns from noisy evidence.

Authors:  Jeremy J Yang; Oleg Ursu; Christopher A Lipinski; Larry A Sklar; Tudor I Oprea; Cristian G Bologa
Journal:  J Cheminform       Date:  2016-05-28       Impact factor: 5.514

7.  ChemProt-3.0: a global chemical biology diseases mapping.

Authors:  Jens Kringelum; Sonny Kim Kjaerulff; Søren Brunak; Ole Lund; Tudor I Oprea; Olivier Taboureau
Journal:  Database (Oxford)       Date:  2016-02-13       Impact factor: 3.451

8.  Evolving scenario of big data and Artificial Intelligence (AI) in drug discovery.

Authors:  Manish Kumar Tripathi; Abhigyan Nath; Tej P Singh; A S Ethayathulla; Punit Kaur
Journal:  Mol Divers       Date:  2021-06-23       Impact factor: 3.364

9.  Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmation.

Authors:  Alex M Clark; Barry A Bunin; Nadia K Litterman; Stephan C Schürer; Ubbo Visser
Journal:  PeerJ       Date:  2014-08-14       Impact factor: 2.984

Review 10.  Composition and applications of focus libraries to phenotypic assays.

Authors:  Anne Mai Wassermann; Luiz M Camargo; Douglas S Auld
Journal:  Front Pharmacol       Date:  2014-07-24       Impact factor: 5.810

  10 in total

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