Wednesday, 01 October 2014, 14:13:00
Tools Print
We only have one tool. Our current research and development efforts focus on the commercially available AweSuM.
 

Spark

Substructure mining
Substructure mining algorithms provide access to an important repertoire of otherwise neglected chemical descriptors: substructures. Substructure miners learn interesting substructures from a dataset by performing many substructure searches. Substructure miners are therefore at least complementary to other methods of chemical data mining, especially in terms of interpretation. This page conceptually discusses what substructure miners do, and notes a few of AweSuM’s features. 
Read more...