Webinar: Open source software components for chemistry standardisation

Antony Williams (EPA, previously RSC and ChemSpider) and Valery Tkachenko (RSC, previously ChemSpider) discuss the need for mechanisms for the standardisation and validation of chemical structure data, and the development and implementation of a system of software components to achieve this within the Open PHACTS Discovery Platform. Watch webinar video | View…

Webinar: Open source software components for chemistry standardisation

Our Science and Open PHACTS webinar series returns on 24 October, following our summer break. This month we will discuss the key chemistry software components and datasets that underpin the Open PHACTS Discovery Platform, which are now available as open source software components. Webinar: Science and Open PHACTS: Open source software components…

Conference: 20th Annual GC&E

20th Annual Green Chemistry & Engineering Conference, Portland, USA Valery Tkachenko (Royal Society of Chemistry) gave a presentation: Chemical databases – challenges and solutions

Presentation: Chemical databases – challenges and solutions

20th Annual Green Chemistry & Engineering Conference, Portland, USA Valery Tkachenko (Royal Society of Chemistry) View presentation

Conference: 251st ACS National Meeting & Exposition

251st ACS National Meeting & Exposition, San Diego, USA Herman van Vlijmen (Janssen) gave a presentation: Open PHACTS: Semantic interoperability for drug discovery Valery Tkachenko (Royal Society of Chemistry) gave a presentation: Implementing chemistry platform for Open PHACTS: Lessons learned Anna Gaulton (EMBL-EBI) gave a presentation: Representation of drug discovery knowledge in the…

Presentation: Implementing chemistry platform for Open PHACTS: Lessons learned

251st ACS National Meeting & Exposition, San Diego, USA Valery Tkachenko (Royal Society of Chemistry) View presentation

Poster: Semantic-Web Access to Patent Annotations

SWAT4LS International Conference 2015, Cambridge, UK View poster

Publication: The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets

There are presently hundreds of online databases hosting millions of chemical compounds and associated data. As a result of the number of cheminformatics software tools that can be used to produce the data, subtle differences between the various cheminformatics platforms, as well as the naivety of the software users, there…

Publication: Scientific Lenses to Support Multiple Views over Linked Chemistry Data

When are two entries about a small molecule in different datasets the same? If they have the same drug name, chemical structure, or some other criteria? The choice depends upon the application to which the data will be put. However, existing Linked Data approaches provide a single global view over…

Conference: CINF-RSC CICAG Symposium

Joint CINF-RSC CICAG Symposium at the 247th ACS National Meeting & Exposition, Dallas, USA Valery Tkachenko (Royal Society of Chemistry) represented Open PHACTS, and Katrin Stierand (University of Hamburg) gave a presentation: Accessing Open PHACTS: Interactive exploration of compounds and targets from the semantic web

Publication: Nanopublication Guidelines

This document describes the structure of nanopublications and offers guidelines in their composition, implementation and use. It was produced by members of the Concept Web Alliance (CWA), an open collaborative community that is actively addressing the challenges associated with the production, management, interoperability and analysis of unprecedented volumes of data….

Publication: Incorporating private and commercial data into an open linked data platform for drug discovery

The Open PHACTS Discovery Platform aims to provide an integrated information space to advance pharmacological research in the area of drug discovery. Effective drug discovery requires comprehensive data coverage, i.e. integrating all available sources of pharmacology data. While many relevant data sources are available on the linked open data cloud,…

Publication: Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

In recent years there has been a dramatic increase in the number of freely accessible online databases serving the chemistry community. The internet provides chemistry data that can be used for data-mining, for computer models, and integration into systems to aid drug discovery. There is however a responsibility to ensure…