I'm trying to find a free automatic organic synthesis Linux command line program which take mol or smile files as input. I have random molecules and I'd like to know how difficult above a baseline they will be to synthesize. An implementation of synthetic accessibility and not a full step wise synthesis program would also be acceptable. Thanks for the help.
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2$\begingroup$ I would be very surprised if such a program exists for anything but a small subset of similarly structured molecules. Additionally, refer to the help section with respect to questions that are purely of a simulation nature. $\endgroup$– bobthechemistOct 24, 2013 at 1:49
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2$\begingroup$ A general solution to this problem, by the way, would be literally worth zillions of dollars. $\endgroup$– Richard TerrettOct 24, 2013 at 7:29
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2$\begingroup$ And probably a Nobel Prize (with its additional 8 million Swedish Kronor). $\endgroup$– Ben NorrisOct 24, 2013 at 11:07
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$\begingroup$ @bobthechemist awh well then you can successfully be surprised as I found a solution. $\endgroup$– user1464Oct 24, 2013 at 21:11
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2$\begingroup$ If you're wondering what "SAscore" is, see the following open-access article: "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions" jcheminf.com/content/1/1/8 $\endgroup$ Oct 25, 2013 at 1:05