An integrated web-based platform for molecular descriptor and fingerprint computation

  File for example:

Here is a dataset for example. It is one of the 20 QSAR datasets from David Pattersons Neighbourhood Behaviour Paper.
Reference: David Patterson, Richard D. Cramer, Allan M. Ferguson, Robert D. Clark and Laurence E. Weinberger. Neighbourhood Behaviour: A Useful Concept for Validation of "Molecular Diversity" Descriptors. J. Med. Chem. 1996 (39) 3049 - 3059.

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