Fast 3D shape screening of large chemical databases through alignment-recycling
<p>Abstract</p> <p>Background</p> <p>Large chemical databases require fast, efficient, and simple ways of looking for similar structures. Although such tasks are now fairly well resolved for graph-based similarity queries, they remain an issue for 3D approaches, particu...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2007-06-01
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| Series: | Chemistry Central Journal |
| Online Access: | http://journal.chemistrycentral.com/content/1/1/12 |