ART2a-Clustering-for-Java
1.0.2.1
ART2a-Clustering-for-Java · Implementation of the ART 2-A fingerprint clustering algorithm in Java.
ART2a-Clustering-for-Java · Implementation of the ART 2-A fingerprint clustering algorithm in Java.
scaffold-graph-vis · Basic utilities for visualising cdk-scaffold graphs using GraphStream
FragmentFingerprints · A library to generate fingerprints for molecular structures based on a set of fragments
Sugar Removal Utility · The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.
ErtlFunctionalGroupsFinder · ErtlFunctionalGroupsFinder for CDK