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Text influenced molecular indexing system and computer-implemented and/or computer-assisted method for same
Text influenced molecular indexing system and computer-implemented and/or computer-assisted method for same
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机译:文本影响分子索引系统及其计算机实现和/或计算机辅助方法
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摘要
An extension of the vector space model for computing chemical similarity using textual and chemical descriptors is described. The method uses a chemical and/or textual description of a molecule/chemical and a decomposes a molecule/chemical descriptor matrix by a suitable technique such as singular value decomposition to create a low dimensional representation of the original descriptor space. Similarities between a user probe and the textual and/or chemical descriptors are then computed and ranked.
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