Here is a first pass at implementing the SMARTCyp method for prediction of Cytochrome p450 metabolism as reported here :

http://pubs.acs.org/doi/pdf/10.1021/ml100016x

The smarts rules are taken from the pdf in the supporting information of the above - you will need to cut out the relevant parts of table S1 and save in an external file, and point at this in the reader in pipeline 1. Due to use of some modified smarts syntax, currently not supported in PP I have modified the syntax to somethign that is supported.

Please let me know if you have any suggestions for improvements.

Noj