ChemGPS API

The service provides principal component analysis (PCA) of chemical samples with relevance to biology to generate a global space map. In effect, it provides a sort of global positioning system (GPS) identifying the location of a sample in an overall matrix of properties based on its chemical composition. Analysis produces a description of a set of compounds based on dimensions or components that together represent its physical-chemical properties, including size, aromatic properties, lipophilic properties, polarity, and flexibility.

API methods support submission of sample data for analysis, resulting in mapping of its properties through interpolation of PCA scores. Methods support queuing a sample dataset for analysis and monitoring processing status. Methods also support access to analytical results upon completion of the process.