“Type-ahead” substructure searches

The other day I was exchanging emails with John Van Drie regarding open challenges in cheminformatics (which I’ll say more about later). One of his comments concerned the slow speed of chemical searches Google searches are screamingly fast, so fast that the type-ahead feature is doing the search as you key characters in.  Why are all chemical […]

Playing with REST Descriptor Services

As part of my work at IU I have been implementing a number of cheminformatics web services. Initially these were SOAP, but I realized that REST interfaces make life much easier. (also see here) As a result, a number of these services have simple REST interfaces. One such service provides molecular descriptor calculations, using the […]