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Molecular similarity based on information entropies and distances

✍ Scribed by Hồ, Minhhuy; Smith, Vedene H.; Weaver, Donald F.; Gatti, Carlo; Sagar, Robin P.; Esquivel, Rodolfo O.


Book ID
118229035
Publisher
American Institute of Physics
Year
1998
Tongue
English
Weight
336 KB
Volume
108
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


Geometric molecular similarity from volu
✍ Michel Petitjean 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 773 KB

The geometric molecular dissimilarity between two molecules is defined as the difference between the volume of their union minus the volume of their intersection. This dissimilarity has the mathematical properties of a distance. This distance is minimized under all rotations and translations using a