A new code for chemical environment and an empirical mathematical pattern Sam on computation of molecular similarity were suggested. Seven molecules which referred to as the probe compounds and the nearest neighbors o...A new code for chemical environment and an empirical mathematical pattern Sam on computation of molecular similarity were suggested. Seven molecules which referred to as the probe compounds and the nearest neighbors of each probe structure were determined by the methods of Sa. and Tanimoto. The results show an intuitive notion of chemical similari-ty.展开更多
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
文摘A new code for chemical environment and an empirical mathematical pattern Sam on computation of molecular similarity were suggested. Seven molecules which referred to as the probe compounds and the nearest neighbors of each probe structure were determined by the methods of Sa. and Tanimoto. The results show an intuitive notion of chemical similari-ty.
文摘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.