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...The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set.
CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening.
Download it via:
http://csminer.com/csm/?p=7
A quick tutorial is available through:
http://csminer.com/csm/?p=8
Chisio is a free editing and layout tool for compound or hierarchically structured graphs based on the Eclipse Graph Editing Framework (GEF) that can be customized to build application-specific graph visualization tools by modifying its code-base.
!!! For latest version, please see !!!
http://code.google.com/p/chied