The Chemical Space Project.

Reymond, J. (2015). The Chemical Space Project. Accounts of Chemical Research, 48(3), 722-730.

Type

Journal article

Intellectual base

Primary research

Year

2015

DOI

10.1021/ar500432k

Link

https://doi.org/10.1021/ar500432k

Cited from

data_science

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.

Verification

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Registry ID ref:3f6d786a5630 · see in the full table