We are aware of many bioinformatics open source tools like AUTODOCK, Smina for drug discovery through structure based virtual screening.
I was wondering if there are validated bioinformatics tools for predicting the synthetic reaction for the identified compound.
On browsing literature, I came across ReactPRED(1)
But again, I have not heard about this tool a lot. What are the tools available for predicting synthetic reaction for identified drugs in both open source and paid?
By synthetic reaction, I am referring to the synthesis reaction of the compound. The tool should be suggesting the synthesis reaction for synthesizing the identified compound.
- Tadi Venkata Sivakumar, Varun Giri, Jin Hwan Park, Tae Yong Kim, Anirban Bhaduri, ReactPRED: a tool to predict and analyze biochemical reactions, Bioinformatics, Volume 32, Issue 22, 15 November 2016, Pages 3522–3524, https://doi.org/10.1093/bioinformatics/btw491