USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints
<p>Abstract</p> <p>Background</p> <p>Ligand-based virtual screening using molecular shape is an important tool for researchers who wish to find novel chemical scaffolds in compound libraries. The Ultrafast Shape Recognition (USR) algorithm is capable of screening millio...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2012-11-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | http://www.jcheminf.com/content/4/1/27 |