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Accelerated similarity searching and clustering of large compound sets by geometric embedding and locality sensitive hashing
Motivation: Similarity searching and clustering of chemical compounds by structural similarities are important computational approaches for identifying drug-like small molecules. Most algorithms available for these tasks are limited by their speed and scalability, and cannot handle today's larg...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2010
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2844998/ https://www.ncbi.nlm.nih.gov/pubmed/20179075 http://dx.doi.org/10.1093/bioinformatics/btq067 |