Name
Title | ||
|---|---|---|
Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance Matrices. |
Abstract | ||
|---|---|---|
This paper presents an exploratory study of a novel method for flexible 3-D similarity searching based on autocorrelation vectors and smoothed bounded distance matrices. Although the new approach is unable to outperform an existing 2-D similarity searching in terms of enrichment factors, it is able to retrieve different compounds at a given percentage of the hitlist and so may be a useful adjunct to other similarity searching methods. |
Year | DOI | Venue |
|---|---|---|
2006 | 10.1021/ci0503863 | JOURNAL OF CHEMICAL INFORMATION AND MODELING |
Keywords | Field | DocType |
similarity search | Discrete mathematics,Distance matrices in phylogeny,Combinatorial chemistry,Theoretical computer science,Mathematics,Autocorrelation,Bounded function | Journal |
Volume | Issue | ISSN |
46 | 2 | 1549-9596 |
Citations | PageRank | References |
1 | 0.36 | 0 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Nicholas Rhodes | 1 | 19 | 2.51 |
| David E Clark | 2 | 124 | 41.63 |
| PETER WILLETT | 3 | 3421 | 592.93 |