A team of researchers at the University of California San Diego describe in a study released Feb. 11 the successful use of an analysis tool that employs artificial intelligence to rapidly identify ...

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

Assessing a drug compound by its activity, not simply its structure, is a new approach that could speed the search for COVID-19 therapies and reveal more potential therapies for other diseases. This ...

In this article, a single integrated software solution is presented for improving the confidence in identifications at various levels: structure, compound class, molecular formula, or verified ...

Honghui Hu of Wanhuida Intellectual Property considers the impact of the structure-activity relationship on the inventiveness assessment of pharmaceutical compounds Bayer Intellectual Property GmbH ...

Bioinformaticians have now developed a unique method with which all metabolites in a sample can be taken into account, thus considerably increasing the knowledge gained from examining such molecules.

Gas chromatography (GC) is used for the analytical separation of volatile substances in the gaseous phase. This chromatographic technique is widely used in various fields of research and industrial ...

A high-throughput assay developed by University of Illinois at Chicago chemists has led to discovery of a small organic compound that shows the unusual ability to inhibit cell migration. The new ...