By the use of ordering-tree and connectivity matrix,a new algorithm to code non-circlemolecules, called connectivity matrix polynomal (CMP) algorithm, is developed. The algorithmcan not only differentiate asymmetrical...By the use of ordering-tree and connectivity matrix,a new algorithm to code non-circlemolecules, called connectivity matrix polynomal (CMP) algorithm, is developed. The algorithmcan not only differentiate asymmetrical atoms. but also make the two-direction mapping betweencodes and non-circle molecular strnctures. That is, from the molecular structure, a nmque codecan be obtained, and from the nmque code, the specific molecular structure can be展开更多
文摘By the use of ordering-tree and connectivity matrix,a new algorithm to code non-circlemolecules, called connectivity matrix polynomal (CMP) algorithm, is developed. The algorithmcan not only differentiate asymmetrical atoms. but also make the two-direction mapping betweencodes and non-circle molecular strnctures. That is, from the molecular structure, a nmque codecan be obtained, and from the nmque code, the specific molecular structure can be