Online Resources to Support Open Drug Discovery Systems

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US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

The document discusses online resources that can support open drug discovery systems. It outlines how pharmaceutical companies spend billions annually on R&D and how public domain data from sources like literature, patents and databases could provide high value. However, such data is difficult to integrate and navigate due to a lack of standards and interoperability between sources. The Open PHACTS project aims to address this by developing standards to semantically integrate drug discovery data from public and private sources.

Technologie Business

Online Resources to Support Open Drug Discovery Systems Antony Williams 3 rd Annual Drug Discovery Partnership: Filling the Pipeline, October 2011

Open Drug Discovery ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

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It is so difficult to navigate… What’s the structure? Are they in our file? What’s similar? What’s the target? Pharmacology data? Known Pathways? Working On Now? Connections to disease? Expressed in right cell type? Competitors? IP?

Where is chemistry online? ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

Pharma are accessing, processing, storing & re-processing Public Domain Drug Discovery Data

Open Algorithms, Descriptors and Closed Data – Can We Unlock It?

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[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Guiding principle is open access, open usage, open source - Key to standards adoption -

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Improve Linked Data Access… ,[object Object],[object Object],[object Object],[object Object],[object Object]

Openness and Quality Issues Williams and Ekins, DDT, 16: 747-750 (2011) Science Translational Medicine 2011

Chemistry Databases on the Internet ,[object Object],[object Object],[object Object]

PHYSPROP Database ,[object Object],[object Object]

The Stereochemistry challenge. 12500 chemicals with “missed” stereo

Searches on ChemSpider ,[object Object],[object Object]

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Thank you Email: williamsa@rsc.org Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

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Heather Hedden, Senior Consultant at Enterprise Knowledge, presented “The Role of Taxonomy and Ontology in Semantic Layers” at a webinar hosted by Progress Semaphore on April 16, 2024. Taxonomies at their core enable effective tagging and retrieval of content, and combined with ontologies they extend to the management and understanding of related data. There are even greater benefits of taxonomies and ontologies to enhance your enterprise information architecture when applying them to a semantic layer. A survey by DBP-Institute found that enterprises using a semantic layer see their business outcomes improve by four times, while reducing their data and analytics costs. Extending taxonomies to a semantic layer can be a game-changing solution, allowing you to connect information silos, alleviate knowledge gaps, and derive new insights. Hedden, who specializes in taxonomy design and implementation, presented how the value of taxonomies shouldn’t reside in silos but be integrated with ontologies into a semantic layer. Learn about: - The essence and purpose of taxonomies and ontologies in information and knowledge management; - Advantages of semantic layers leveraging organizational taxonomies; and - Components and approaches to creating a semantic layer, including the integration of taxonomies and ontologies

The Role of Taxonomy and Ontology in Semantic Layers - Heather Hedden.pdf

Enterprise Knowledge

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A Domino Admins Adventures (Engage 2024)

The Role of Taxonomy and Ontology in Semantic Layers - Heather Hedden.pdf

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Online Resources to Support Open Drug Discovery Systems

1. Online Resources to Support Open Drug Discovery Systems Antony Williams 3 rd Annual Drug Discovery Partnership: Filling the Pipeline, October 2011

5. It is so difficult to navigate… What’s the structure? Are they in our file? What’s similar? What’s the target? Pharmacology data? Known Pathways? Working On Now? Connections to disease? Expressed in right cell type? Competitors? IP?

7. PubChem

8. ChEMBL

9. ChemSpider

10. SciDBs Wiki

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12. Pharma are accessing, processing, storing & re-processing Public Domain Drug Discovery Data

13. New trend: Set Data Free on the Web

14. Open Algorithms, Descriptors and Closed Data – Can We Unlock It?

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22. Linking “Flavors” of Chemistry

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24. Openness and Quality Issues Williams and Ekins, DDT, 16: 747-750 (2011) Science Translational Medicine 2011

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27. The Stereochemistry challenge. 12500 chemicals with “missed” stereo

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29. NIST Webbook

30. PubChem

31. NPC Browser http://tripod.nih.gov/npc/

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35. Synonyms on PubChem

36. Data Proliferation

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45. Thank you Email: williamsa@rsc.org Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

Hinweis der Redaktion

( http://bioassayontology.org/)

Online Resources to Support Open Drug Discovery Systems

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Hinweis der Redaktion