Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)
hashing
machine-learning
feature-extraction
morgan-fingerprints
supervised-machine-learning
information-entropy
circular-fingerprints
unsupervised-feature-selection
extended-connectivity-fingerprints
set-functions
molecular-property-prediction
supervised-feature-selection
hash-based-folding
sort-and-slice
substructure-pooling
molecular-featurisation
feature-pooling
set-vectorisation
mutual-information-maximisation
filtered-circular-fingerprints
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Updated
Oct 26, 2024 - Jupyter Notebook