Using Descriptor Counts in Clustering

Descriptor-Count Information

• Descriptor Counts: Number of times a fingerprint bit is on (equals 1) in a dataset.



• Useful Information: Variability of each bit (0-50%).



• Probability that a bit will have the same value in a pair of compounds is related to the bit's variability by



p = (var)² + (1 - var)²

Variability	Prob. of a Match
0.1	0.82
0.2	0.68
0.3	0.58
0.4	0.52
0.5	0.50