A method to approximately uniformly sample molecular graphs and estimate their total count using small-world network distances, applied to assess database representativeness.
Title resolution pending
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Representative Random Sampling of Chemical Space
A method to approximately uniformly sample molecular graphs and estimate their total count using small-world network distances, applied to assess database representativeness.