化学信息的在线存储与检索。I. 结构录入
On-line storage and retrieval of chemical information. I. Structure entry.
作者信息
Bowman C M, Davison L C, Roush P F
出版信息
J Chem Inf Comput Sci. 1979 Nov;19(4):228-30. doi: 10.1021/ci60020a011.
PMID:551972
Abstract
An interactive program has been developed for entering, verifying, and storing chemical structures encoded in the Wiswesser Line Notation. The program calculates a molecular formula from the WLN for checking and then generates a bit string fragment code and connection table of the atoms in the structure. The encoding and entry of the WLN using a CRT has significantly improved the speed of the total compound registration process.
摘要
已开发出一个交互式程序，用于输入、验证和存储以威斯韦塞尔线式表示法编码的化学结构。该程序根据威斯韦塞尔线式表示法计算分子式以进行核对，然后生成位串片段代码和结构中原子的连接表。使用阴极射线管对威斯韦塞尔线式表示法进行编码和输入，显著提高了化合物整体登记过程的速度。
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