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Similarity Searching Using Reduced Graphs.

✍ Scribed by Valerie J. Gillet; Peter Willett; John Bradshaw


Publisher
John Wiley and Sons
Year
2003
Weight
55 KB
Volume
34
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES


ELECT++: Faster conformational search me
✍ Makino, Shingo; Kuntz, Irwin D. πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 575 KB

We have developed a program, ELECTqq Effective LEssening . of Conformations by Template molecules in Cqq , to speed up the conformational search for small flexible molecules using the similar property principle. We apply this principle to molecular shape and, importantly, to molecular flexibility. A