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Fuzzy Score [message #272]

Tue, 23 May 2017 16:18

vamsi9k
Messages: 3
Registered: March 2017
Location: India

Junior Member

Hi Thomas,

Fuzzy score is really an awesome implementation to calculate combined scoring for drug molecules. If possible, please share any publication reference with implementation. I am just curious , is this method same as multi-parameter optimization as mentioned in several places.

Thank you so much for all your effort and your reply help me alot

with regards,
vamsi

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Re: Fuzzy Score [message #274 is a reply to message #272]

Sun, 28 May 2017 00:21

thomas
Messages: 219
Registered: June 2014

Senior Member

Hi Vamsi,

the fuzzy score is meant to combine multiple parameters into one numerical value describing a kind of summary fitness. Therefore it can be used as good basis for a multi-parameter optimization strategy. Fuzzy scores are state-of-the-art. Optibrium, a company that specializes in these matters, uses a similar approach. An alternative approach would be a Pareto-ranking, where you identify those molecules from a larger set, where no other molecule exists that have at least one better property without any property being worse.

Kind regards, Thomas

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Re: Fuzzy Score [message #277 is a reply to message #274]

Tue, 30 May 2017 11:39

vamsi9k
Messages: 3
Registered: March 2017
Location: India

Junior Member

You are right Thomas

Thank you so much

best regards,
vamsi

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