We present select services of the NCI CADD Group's web server CACTUS (CADD Group Chemoinformatics Tools and User Services). The Chemical Identifier Resolver (CIR) functions as a resolver for a large number of chemical structure identifiers. It provides conversion of an input structure identifier into another structure identifier or a variety of representations, ranging from identifiers such as InChI[Key] through structure drawings to molecular properties such as molecular weight. CIR can be used via a web form or a simple URL API. The Chemical Structure Lookup Service (CSLS) provides the user with information about, and links to, occurrence of an input structure in more than 100 databases, both public and commercial. These and other CACTUS services can help in working with structure files and notations, thereby aiding chemistry students, educators, researchers, and librarians in their sharing and discovery of chemical structures.

NCI/CADD CACTUS web server: Tool for connecting chemical structures

255th National Meeting (2018)

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