Symbol h
the hit rate measured directly among compounds actually synthesized and tested at docking-score bin s.
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Why this formula appears here
where h(s) is the hit rate measured directly among compounds actually synthesized and tested at docking-score bin s , and N(s) is the number of untested library members scored into that bin. Applying this to the D4 results produced an estimate of roughly 453,000 ligands across the full 138-million-compound library — a projection under an assumed score-to-hit-rate relationship, not a directly counted total. Confirmed hits included a 180-picomolar, subtype-selective D4 agonist, one of 81 new chemotypes with no prior literature precedent, 30 of which showed submicromolar activity. This is screening logic, not generative logic: nothing here proposes a molecule outside the pre-enumerated library,…
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Symbol s
s is a part of this expression. Its role is fixed by the surrounding article and by the operations shown in the formula.
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Published contexts (1)
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Equation 2 · AI for Science
Comparing the Main Approaches to AI for Science and Medicine
This mathematical expression combines the displayed quantities; its precise role follows from the surrounding article text.
where h(s) is the hit rate measured directly among compounds actually synthesized and tested at docking-score bin s , and N(s) is the number of untested library members scored into that bin. Applying this to the D4 results produced an estimate of roughly 453,000 ligands across the full 138-million-compound library — a projection under an assumed score-to-hit-rate relationship, not a directly counted total. Confirmed hits included a 180-picomolar, subtype-selective D4 agonist, one of 81 new chemotypes with no prior literature precedent, 30 of which showed submicromolar activity. This is screening logic, not generative logic: nothing here proposes a molecule outside the pre-enumerated library,…
Meanings in this article
- : the hit rate measured directly among compounds actually synthesized and tested at docking-score bin s.