HOW SIMILAR IS A MOLECULE TO ANOTHER - AN ELECTRON-DENSITY MEASURE OF SIMILARITY BETWEEN 2 MOLECULAR-STRUCTURES

HOW SIMILAR IS A MOLECULE TO ANOTHER - AN ELECTRON-DENSITY MEASURE OF SIMILARITY BETWEEN 2 MOLECULAR-STRUCTURES
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DOI:
10.1002/qua.560170612
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发表时间:
1980-01-01
影响因子:
2.2
通讯作者:
ARNAU, M
ARNAU, M
中科院分区:
化学3区
文献类型:
--
作者:
CARBO, R;LEYDA, L;ARNAU, M

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A matching measure between two molecular structures based on density functions is described. Some examples related with an alarm pheromone activity are given; the results encourage the possible use of similarity density concepts in molecular engineering.