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There are some non-ML methods, like for example: https://en.m.wikipedia.org/wiki/Lipinski%27s_rule_of_five https://en.m.wikipedia.org/wiki/Lipinski%27s_rule_of_
by shawnz 7y ago
There are some non-ML methods, like for example: https://en.m.wikipedia.org/wiki/Lipinski%27s_rule_of_five https://en.m.wikipedia.org/wiki/Lipinski%27s_rule_of_five
- tempguy9999 7y agoIANAdrugologist but that rule is about bioactivity rather then psychoactivity. Open to correction though.
- dekhn 7y agoyou're correct. it doesn't help a lot with predicting psychedelic activity other than to act as a negative filter for unlikely compounds.
- shawnz 7y agoYes, 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.heffter.org/review/chapter5.pdf https://web.archive.org/web/20080704190159/http://www.heffte...