Name
Abstract | ||
|---|---|---|
This work describes a genetic algorithm for the calculation of substructural analysis for use in ligand-based virtual screening. The algorithm is simple in concept and effective in operation, with simulated virtual screening experiments using the MDDR and WOMBAT data sets showing it to be superior to substructural analysis weights based on a naive Bayesian classifier. |
Year | DOI | Venue |
|---|---|---|
2015 | 10.1021/ci500540s | JOURNAL OF CHEMICAL INFORMATION AND MODELING |
DocType | Volume | Issue |
Journal | 55 | 2 |
ISSN | Citations | PageRank |
1549-9596 | 0 | 0.34 |
References | Authors | |
0 | 3 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| John D. Holliday | 1 | 318 | 39.20 |
| Nor Sani | 2 | 0 | 0.34 |
| PETER WILLETT | 3 | 3421 | 592.93 |