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MOESM2 of A retrosynthetic analysis algorithm implementation

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posted on 2019-01-03, 05:00 authored by Ian Watson, Jibo Wang, Christos Nicolaou
Additional file 2. SI2 contains the python script rtsa_train.py which was used for the preparation of RRT repositories as described in the Results section of this paper.

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    Journal of Cheminformatics

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    Retrosynthetic analysisChemical synthesisSynthetic route designReaction informatics

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