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Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints

4 June 20244 June 2024 chris

An interesting alternative to hash-based folding on arXiv.

https://arxiv.org/abs/2403.17954

Code is on GitHub https://github.com/MarkusFerdinandDablander/ECFP-substructure-pooling-Sort-and-Slice