| 摘要 |
<p>Embodiments of the present invention provide a system and method for determining the structures of a chemical compound. Generally, embodiments of the present invention can provide a computer executable program that, for a given compound, can derive any number of additional structures for the compound from an input structure. The additional structures can include all proto-stereomers, or any subset thereof, of the compound (i.e., all or a set of stereomers for all or a set of protomers). The proto-stereomers can be determined based on all the protomers for the compound, a plausible set of protomers or any subset of the protomers for the compound.</p> |
