A global resource for computational chemistry
A modular distributable system has been built for high-throughput computation of molecular structures and properties. It has been used to process 250K compounds from the NCI database and to make the results searchable by structures and properties. The IUPAC/NIST INChI specification and algorithm has...
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| Main Authors: | , , , |
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| Format: | IRs |
| Published: |
2004-09-30T07:34:19Z.
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| Subjects: | |
| Online Access: | Get full text |
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