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Enquiring on multi-objective fitness function #10

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yipy0005 opened this issue Sep 1, 2022 · 3 comments
Closed

Enquiring on multi-objective fitness function #10

yipy0005 opened this issue Sep 1, 2022 · 3 comments

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@yipy0005
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yipy0005 commented Sep 1, 2022

Hi, I would like to ask if there are multiple objectives which I want the fitness function to fulfil, how would I write out the function because the example on the README.md is only for one objective (logP)?

Thank you! :D

@gkwt
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gkwt commented Sep 1, 2022

Thanks for the question!

One way to do this right now is to do a linear combination of your different objectives. But we are currently working on some more sophisticated multi-objective methods.

@akshat998
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Perhaps I can give an example that would fulfill your request @yipy0005. Suppose I wasnt logP closr to 5 , SAS (sythetic accessability as small as possible) & a QED value of 0.7.

An appropriate fitness function might then be:
F = -SAS + (logP - 5)**2 + (QED - 0.7)**2

Hope this makes sense & please let us know if any clarifications are required :)
Akshat

@yipy0005
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yipy0005 commented Sep 2, 2022

Hi all, thanks for your answers, it absolutely helped me! :D

@yipy0005 yipy0005 closed this as completed Sep 2, 2022
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