GPU-accelerated Chemical Similarity Assessment for Large Scale Databases
The assessment of chemical similarity between molecules is a basic operation in chemoinformatics, a computational area concerning with the manipulation of chemical structural information. Comparing molecules is the basis for a wide range of applications such as searching in chemical databases, train...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
Elsevier B.V.
2014
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| Online Access: | http://hdl.handle.net/1721.1/92298 |