The Chemical Space Project.¶
Reymond, J. (2015). The Chemical Space Project. Accounts of Chemical Research, 48(3), 722-730.
Cited by¶
1 citation across 1 artifact.
Each citation links to the sentence it supports in the citing article.
Primes¶
- Curse Of Dimensionality
- Because the budget covers a vanishing fraction of the space, brute-force screening is structurally hopeless, and the curse predicts this before any screen is run.
This sourceQuantifies the astronomical size of synthesisable chemical space (GDB-17: 166.4 billion molecules up to 17 heavy atoms), against which any feasible library covers a vanishing fraction.
Supported in partVerified against the work's full text
Reymond sizes chemical space (GDB-17 at 166.4 billion molecules; drug-like space about 10^60), which is the scale premise behind the claim, but it does not argue about brute-force screening.
“a number far too large for practical”
- Because the budget covers a vanishing fraction of the space, brute-force screening is structurally hopeless, and the curse predicts this before any screen is run.
Verification¶
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Registry ID ref:3f6d786a5630 · see in the full table