Publication: Medicinal chemistry in the era of big data

In the era of big data medicinal chemists are exposed to an enormous amount of bioactivity data. Numerous public data sources allow for querying across medium to large data sets mostly compiled from literature. However, the data available are still quite incomplete and of mixed quality. This mini review will focus on how medicinal chemists Read more about Publication: Medicinal chemistry in the era of big data[…]

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 are a myriad of issues Read more about Publication: The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets[…]

Publication: DisGeNET: a discovery platform for the dynamical exploration of human diseases and their genes

DisGeNET is a comprehensive discovery platform designed to address a variety of questions concerning the genetic underpinning of human diseases. DisGeNET contains over 380 000 associations between >16 000 genes and 13 000 diseases, which makes it one of the largest repositories currently available of its kind. DisGeNET integrates expert-curated databases with text-mined data, covers information on Read more about Publication: DisGeNET: a discovery platform for the dynamical exploration of human diseases and their genes[…]

Publication: Publishing DisGeNET as Nanopublications

The increasing and unprecedented publication rate in the biomedical field is a major bottleneck for discovery in Life Sciences. Although the scientific community is limited an inability to manually curate facts from published papers, recent approaches enable the automatic, scalable and reliable extraction of assertions from the scientific literature. While the publication of assertions on Read more about Publication: Publishing DisGeNET as Nanopublications[…]

Publication: Extraction of relations between genes and diseases from text and large-scale data analysis: implications for translational research

Background Current biomedical research needs to leverage and exploit the large amount of information reported in scientific publications. Automated text mining approaches, in particular those aimed at finding relationships between entities, are key for identification of actionable knowledge from free text repositories. We present the BeFree system aimed at identifying relationships between biomedical entities with Read more about Publication: Extraction of relations between genes and diseases from text and large-scale data analysis: implications for translational research[…]

Publication: The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research

Integration of open access, curated, high-quality information from multiple disciplines in the Life and Biomedical Sciences provides a holistic understanding of the domain. Additionally, the effective linking of diverse data sources can unearth hidden relationships and guide potential research strategies. However, given the lack of consistency between descriptors and identifiers used in different resources and Read more about Publication: The Application of the Open Pharmacological Concepts Triple Store (Open PHACTS) to Support Drug Discovery Research[…]

Publication: Using the BioAssy Ontology for Analyzing High-Throughput Screening Data

High-throughput screening (HTS) is the main starting point for hit identification in drug discovery programs. This has led to a rapid increase of available screening data both within pharmaceutical companies and the public domain. We have used the BioAssay Ontology (BAO) 2.0 for assay annotation within AstraZeneca to enable comparison with external HTS methods. The Read more about Publication: Using the BioAssy Ontology for Analyzing High-Throughput Screening Data[…]

Publication: Drug Discovery FAQs: Workflows for answering cross concept drug discovery questions

Modern data-driven drug discovery requires integrated resources to support decision-making and enable new discoveries. The Open PHACTS Discovery Platform (http://dev.openphacts.org) was built to address this requirement by focusing on drug discovery questions that are of high priority to the pharmaceutical industry. Although complex, most of these frequently asked questions (FAQs) revolve around the combination of Read more about Publication: Drug Discovery FAQs: Workflows for answering cross concept drug discovery questions[…]

Publication: On the formulation of performant SPARQL queries

The combination of the flexibility of RDF and the expressiveness of SPARQL provides a powerful mechanism to model, integrate and query data. However, these properties also mean that it is nontrivial to write performant SPARQL queries. Indeed, it is quite easy to create queries that tax even the most optimised triple stores. Currently, application developers Read more about Publication: On the formulation of performant SPARQL queries[…]