Any medicinal chemist could potentially score the set of NIH probes based on their own criteria and build similar models so it would add efficiency to the workflow of scoring libraries computationally before screening.
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jaleel uc
Oct 15, 2014, 3:27:26 AM10/15/14
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The presence of and pattern of literature
references for each probe is a key part of the quality assessment. We were particularly interested
whether the human evaluation aspect of medicinal chemistry due diligence could be
computationally predicted
JALEEL
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