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 ChEMBL and SureChEMBL databases

Conference: SWAT4LS 2015

SWAT4LS International Conference 2015, Cambridge, UK Anna Gaulton (European Bioinformatics Institute) presented a poster: Semantic-Web Access to Patent Annotations Alasdair Gray (Heriot-Watt University) gave a presentation: Validata: An online tool for testing RDF data conformance Ryan Miller (Maastricht University) presented a poster: Where do you go from here? Semantics of directions in biological pathways Núria Queralt-Rosinach (IMIM) gave a Read more about Conference: SWAT4LS 2015[…]

Publication: Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

First public disclosure of new chemical entities often takes place in patents, which makes them an important source of information. However, with an ever increasing number of patent applications, manual processing and curation on such a large scale becomes even more challenging. An alternative approach better suited for this large corpus of documents is the Read more about Publication: Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents[…]

Publication: Transporter taxonomy – a comparison of different transport protein classification schemes

Currently, there are more than 800 well characterized human membrane transport proteins (including channels and transporters) and there are estimates that about 10% (approx. 2000) of all human genes are related to transport. Membrane transport proteins are of interest as potential drug targets, for drug delivery, and as a cause of side effects and drug–drug Read more about Publication: Transporter taxonomy – a comparison of different transport protein classification schemes[…]

Publication: Transporter assays and assay ontologies: useful tools for drug discovery

Transport proteins represent an eminent class of drug targets and ADMET (absorption, distribution, metabolism, excretion, toxicity) associated genes. There exists a large number of distinct activity assays for transport proteins, depending on not only the measurement needed (e.g. transport activity, strength of ligand–protein interaction), but also due to heterogeneous assay setups used by different research Read more about Publication: Transporter assays and assay ontologies: useful tools for drug discovery[…]