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shawnz
on Oct 25, 2019
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Using Deep Learning to Predict the Olfactory Prope...
There are some non-ML methods, like for example:
https://en.m.wikipedia.org/wiki/Lipinski%27s_rule_of_five
tempguy9999
on Oct 25, 2019
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IANAdrugologist but that rule is about bioactivity rather then psychoactivity. Open to correction though.
dekhn
on Oct 25, 2019
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you're correct. it doesn't help a lot with predicting psychedelic activity other than to act as a negative filter for unlikely compounds.
shawnz
on Oct 25, 2019
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Yes, it's just one piece of the puzzle. The op might also be interested in David E Nichols' research into structure-activity relationships of psychedelics. See:
https://web.archive.org/web/20080704190159/http://www.heffte...
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