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Free tools for de novo compound generation based on a single compound

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Hi all,

I was wondering if anybody knows of any free tools to generate a series of synthetically accessible compounds from one lead compound? I came across this paper ( which looks really interesting, but I don’t think the software is freely available.

The idea is that a single compound is used as input and by combining it with a series of available chemical starting blocks and a series of standard reactions it can be transformed into new compounds that chemists might like to make. 

Does anybody have any experience such tools?

Thanks for any pointers

NN comments

Hi Iain,

we are currently working on such a tool. If you can wait a few more weeks or want to help, you are welcome :)


Hi Bjoern,

I can wait, looking forward to it!



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