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https://github.com/reymond-group/map4
The MinHashed Atom Pair fingerprint of radius 2
https://github.com/reymond-group/map4
Last synced: about 1 month ago
JSON representation
The MinHashed Atom Pair fingerprint of radius 2
- Host: GitHub
- URL: https://github.com/reymond-group/map4
- Owner: reymond-group
- License: mit
- Created: 2020-03-06T17:01:00.000Z (almost 5 years ago)
- Default Branch: master
- Last Pushed: 2023-05-01T21:21:22.000Z (over 1 year ago)
- Last Synced: 2024-10-13T13:12:37.813Z (2 months ago)
- Language: CSS
- Size: 21.6 MB
- Stars: 106
- Watchers: 7
- Forks: 33
- Open Issues: 12
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Metadata Files:
- Readme: README.md
- License: LICENSE.md
Awesome Lists containing this project
- awesome-biochem-ai - MAP4 (2020) - title paper, [One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome](https://jcheminf.biomedcentral.com/articles/10.1186/s13321-020-00445-4) claimed to be an improvement to existing [standard fingerprints](https://rdkit.org/UGM/2012/Landrum_RDKit_UGM.Fingerprints.Final.pptx.pdf). Once a molecule is converted to its fingerprint, we can use [Tanimoto Similarity](https://en.wikipedia.org/wiki/Chemical_similarity) to measure the similarity for any two fingerprints. (Molecule Similarity Metrics)