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柳城洛雪

银虫 (小有名气)

[求助] 对手性分子进行Dragon描述符计算所得分子部分描述符不同是怎么回事?

如题。对CFIClBr做Dragon描述符计算两构型完全相同,但是对于CIBrPhBu的描述符计算在RDF和Mor描述符上存在严重偏差,这是怎么回事呢?
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喵呜~
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珍维永久

金虫 (小有名气)

楼主,能否传我一个dragon的软件呢,谢谢了
2楼2016-11-02 13:45:07
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