Normalized Cuts Image 

Perform Normalized Cuts clustering on an image.

CDK to Molecule 

Converts CDK molecules into various string representations

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.

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 […]