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Equation 1 · Part 4 · Comparing the Main Approaches to AI for Science and Medicine

Symbol N

N^hits  ≈  ∑sh(s) N(s)\hat{N}_{\text{hits}} \;\approx\; \sum_{s} h(s)\, N(s)
NN

What this part means

the number of untested library members scored into that bin.

Its job in the formula

N is a part of this expression. Its role is fixed by the surrounding article and by the operations shown in the formula.

Where the article explains it

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.

The passage around this formula

…extrapolate a library-wide estimate rather than test everything directly: N^hits  ≈  ∑sh(s) N(s)\hat{N}_{\text{hits}} \;\approx\; \sum_{s} h(s)\, N(s). 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…

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Learn the underlying idea

A function assigns an output to each allowed input. The expression f(x) means “apply f to x”.

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Sources cited in the surrounding passage

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