Cargando...
GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison
Chemical similarity calculation plays an important role in compound library design, virtual screening, and “lead” optimization. In this manuscript, we present a novel GPU-accelerated algorithm for all-vs-all Tanimoto matrix calculation and nearest neighbor search. By taking advantage of multi-core G...
Gardado en:
| Main Authors: | , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2011
|
| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3445263/ https://ncbi.nlm.nih.gov/pubmed/21692447 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci1004948 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|