STRUCTURAL SEARCH CODES FOR ONLINE COMPOUND REGISTRATION
A topological index has been developed which can discriminate between isomers in a molecular formula group. This index could be used, in combination with the molecular formula, to provide rapid access to those few compounds in a large chemical structure file which must be compared with a query struc...
Main Authors: | Evans, L, Lynch, M, Willett, P |
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Format: | Journal article |
Language: | English |
Published: |
1978
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