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距离边数矢量与分子相似度的计算
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作者 杨嘉安 许禄 《应用化学》 CAS CSCD 北大核心 1999年第5期94-96,共3页
A methematical pattern on computation of molecular simularity is proposed and used to compute the molecular simularity of three organic hetero compounds. The results are relatively identical with those obtained from c... A methematical pattern on computation of molecular simularity is proposed and used to compute the molecular simularity of three organic hetero compounds. The results are relatively identical with those obtained from codes for chemical environment. 展开更多
关键词 距离边数矢量 化学环境编码算法 分子相似度计算
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