e3fp.fingerprint.metrics.fprint_metrics module¶
Fingerprint comparison metrics.
Author: Seth Axen E-mail: seth.axen@gmail.com
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cosine
(fp1, fp2)[source]¶ Calculate cosine similarity between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Cosine similarity.
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dice
(fp1, fp2)[source]¶ Calculate Dice coefficient between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Dice coefficient.
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distance
(fp1, fp2)[source]¶ Calculate Euclidean distance between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Euclidian distance.
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hamming
(fp1, fp2)[source]¶ Calculate Hamming distance between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Hamming distance.
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pearson
(fp1, fp2)[source]¶ Calculate Pearson correlation between fingerprints.
- Parameters
fp1 (Fingerprint) – Fingerprint 1
fp2 (Fingerprint) – Fingerprint 2
- Returns
float
- Return type
Pearson correlation.
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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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