Fast access to chemical data with ChemCurator

presentation · 4 years ago
by Jasna Klicic Badoux (Nestlé)

Chemical structures (of organic compounds) are the basis of the language of chemistry. For those who understand it, it conveys lots of information in terms of molecular and bulk properties, chemical reactivity or biological activity. In today’s era of Big Data, enabling modern exploitation of chemical data requires that it is given in a technologically suitable format – chemical structure format such as, for example, SDF. Here we present and comment on several use cases of ChemCurator, a program that automates retrieval and conversion of chemical data into a suitable structural format. Download slides