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Something wrong in ranolazine_mpo() ? #28

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CandyClass opened this issue Feb 15, 2023 · 0 comments
Open

Something wrong in ranolazine_mpo() ? #28

CandyClass opened this issue Feb 15, 2023 · 0 comments

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@CandyClass
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it says 'Make start_pop_ranolazine more polar and add a fluorine',
but the code is:
logP_under_4 = RdkitScoringFunction(descriptor=logP, score_modifier=MaxGaussianModifier(mu=7, sigma=1))
I guess logP_under_4 is a correct name stands for 'trying to minimize logP till its under 4', but the function uses MaxGaussianModifier with a mu=7, shouldn't that be MinGaussianModifier with a mu=4?

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