Screening Deck Selection

On the other hand, the disadvantage of a small set, particularly if it contains only annotated molecules, is the nominal chance to identify completely novel targets. 

6) As important it is to flag phenotypic screen active hits with known MMoA, it is to analyze and understand those hits with known MMoA that appear to be inactive. 

Prioritization of chemical series then follows taking into consideration parameters such as (i) dynamic, reproducible SAR , (ii) structural novelty, and (iii) synthetic feasibility and amenability toward hit-to-lead optimization. Three possible scenarios emerge depending on the primary objective of the campaign  

I) Target discovery goal Completion of all the screens, triaging, and prioritization yield chemical series with attractive phenotype that have little to no possibility to be adopted for medicinal chemistry hit-to-lead optimization for various reasons (nonlead-like properties, IP, etc.). Still, the discovery of a novel target in the disease biology context grants follow-up toward appropriate chemical probes for mechanism of action elucidation. 

III) TargetAead discovery goal Upon screening completion, chemical series with unknown target and attractive from a medicinal chemistry perspective (e.g., lead-like properties, fi eedom to operate, etc.) emerge. This is 

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Selecting screening decks and screening to find hits... 

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