e3fp.fingerprint.metrics.fprint_metrics module¶
Fingerprint comparison metrics.
Author: Seth Axen E-mail: seth.axen@gmail.com
- cosine(fp1, fp2)[source]¶
Calculate cosine similarity between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Cosine similarity.
- dice(fp1, fp2)[source]¶
Calculate Dice coefficient between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Dice coefficient.
- distance(fp1, fp2)[source]¶
Calculate Euclidean distance between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Euclidian distance.
- hamming(fp1, fp2)[source]¶
Calculate Hamming distance between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Hamming distance.
- pearson(fp1, fp2)[source]¶
Calculate Pearson correlation between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Pearson correlation.
- soergel(fp1, fp2)[source]¶
Calculate Soergel similarity between fingerprints.
Soergel similarity is the complement of Soergel distance and can be thought of as the analog of the Tanimoto coefficient for count/float-based fingerprints. For Fingerprint, it is equivalent to the Tanimoto coefficient.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float (Soergel similarity.)
Reference
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