https://github.com/reymond-group/map4

The MinHashed Atom Pair fingerprint of radius 2
https://github.com/reymond-group/map4

Last synced: about 2 months 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 (about 5 years ago)
• Default Branch: master
• Last Pushed: 2023-05-01T21:21:22.000Z (about 2 years ago)
• Last Synced: 2025-03-08T22:19:14.727Z (3 months ago)
• Language: CSS
• Size: 21.6 MB
• Stars: 112
• Watchers: 6
• Forks: 32
• Open Issues: 12
• 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)