Chlorine is one of the most common atoms present in small-molecule drugs beyond carbon,
hydrogen, nitrogen, and oxygen. There are currently more than 250 FDA-approved chlorine …

Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

Abstract BindingDB, www. bindingdb. org, is a publicly accessible database of experimental
protein-small molecule interaction data. Its collection of over a million data entries derives …

Drug repositioning can drastically decrease the cost and duration taken by traditional drug
research and development while avoiding the occurrence of unforeseen adverse events …

Increasing evidence that several drug compounds exert their effects through interactions
with multiple targets is boosting the development of research fields that challenge the data …

Historically, one of the key problems in neglected disease drug discovery has been
identifying new and interesting chemotypes. Phenotypic screening of the malaria parasite …

Stages in a typical drug discovery organization include target selection, hit identification,
lead optimization, preclinical and clinical studies. Hit identification and lead optimization are …

Abstract Structure–activity relationship modelling is frequently used in the early stage of drug
discovery to assess the activity of a compound on one or several targets, and can also be …

The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …

Infectious diseases claim millions of lives every year, but with the advent of drug resistance,
therapeutic options to treat infections are inadequate. There is now an urgent need to …