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Fast 3D molecular superposition and similarity search in databases of flexible molecules

✍ Scribed by Andreas Krämer; Hans W. Horn; Julia E. Rice

Book ID
111542819
Publisher
Springer Netherlands
Year
2003
Tongue
English
Weight
705 KB
Volume
17
Category
Article
ISSN
0920-654X

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An inequality for 3D database searching
An inequality for 3D database searching and its use in evaluating the treatment of conformational flexibility
✍ John H. Drie 📂 Article 📅 1996 🏛 Springer Netherlands 🌐 English ⚖ 712 KB

A mathematical formula is introduced for predicting the number of hits that should be observed in a flexible 3D database search, based on the results of a set of related queries. The projected number of hits is always greater than or equal to the actual number of hits, the discrepancy being due to i