Over the course of the last 15 years, the NCI/CADD group has made publicly available a series of small molecule-centric Web services and databases at their Web server, http://cactus.nci.nih.gov, e.g., the Chemical Structure Lookup Service (CSLS), the Chemical Identifier Resolver (CIR), and the NCI Enhanced Database Browser. We present an overview over recent work on a tighter integration of these resources, on improvements of the programmatic accessibility as well as on a better usability with mobile and touchscreen devices. Furthermore, we will discuss recent enhancement of our Chemical Structure DataBase (CSDB) which is used as central data repository for all of our services. The most recent versions of CSDB indexes approx. 300 million chemical structure records representing about approx. 120 million unique chemical structures. We will also present a new Web service allowing for the prediction of physicochemical and biological properties of small molecules.

NCI/CADD chemical structure Web services

245th National Meeting (2013)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.