RDKit Substructure Counter 

Calculates the number of times a query molecule is present in the input molecule.

Conformal Calibrator (Regression) 

Creates a calibration table with ranking for further calibration of the test data sets.

Normalized Cuts Image 

Perform Normalized Cuts clustering on an image.

RDKit Interactive Table 

Interactive table view with capability of hiliting and showing additional header information.

Conformal Partitioning 

Splits table into two partitions, with the first adjusted for calibration.

CIR 

CIR (Chemical Identifier Resolver) uses the network service by the CADD Group at the NCI/NIH as a resolver for different chemical structure identifiers […]

Data Editor 

Correct data sets or add information