𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Looking for pharmacophores in 3-D databases: Does conformational searching improve the yield of actives?

✍ Scribed by Kevin S. Haraki; Robert P. Sheridan; R. Venkataraghavan; Deborah A. Dunn; Richard McCulloch


Book ID
108022663
Publisher
Elsevier Science
Year
1990
Weight
518 KB
Volume
3
Category
Article
ISSN
0898-5529

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An inequality for 3D database searching
✍ John H. Drie πŸ“‚ Article πŸ“… 1996 πŸ› Springer Netherlands 🌐 English βš– 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