Table 2 Analysis of ChEMBL using MinHashed atom-pair fingerprint variants
From: One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Fingerprinta | Unique shinglesb |
|---|---|
MAP2 (r = 1) | 1,913,607 |
MAP4 (r = 2) | 46,430,912 |
MAP6 (r = 3) | 205,576,613 |
MAP8 (r = 4) | 465,393,948 |