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From: Rajarshi G. <rg...@in...> - 2009-03-07 05:21:37
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On Mar 6, 2009, at 11:15 PM, Andrew Dalke wrote: > On Mar 7, 2009, at 1:37 AM, Rajarshi Guha wrote: >> In the CDK you can get the AST for a given SMARTS query - I suppose >> you could then play with the two AST's > > FROWNS also has a tokenizer for SMARTS, written in Python. > > But the tree isn't enough - you need to turn it into a graph to do > the MCS. I'm not sure I understand - the tree is a graph ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 ------------------------------------------------------------------- Q: What's polite and works for the phone company? A: A deferential operator. |