Mukundh Murthy
1 min readApr 3, 2020

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Hey Kuro!

That sounds really cool!!! I think my model was only able to get around -13. I still have to do multiple iterations where I re-input the molecules with the most negative binding affinity. That being said, binding affinity has been shown not to be the best indicator of efficacy always. Have you looked into QSAR for your molecules?

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Mukundh Murthy
Mukundh Murthy

Written by Mukundh Murthy

Innovator passionate about the intersection between structural biology, machine learning, and chemiinformatics. Currently @ 99andbeyond.

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