Gálvez J, García-Domenech R, de Julián-Ortiz J V, Soler R
Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Spain.
J Chem Inf Comput Sci. 1995 Mar-Apr;35(2):272-84. doi: 10.1021/ci00024a017.
In this paper we demonstrated that by an adequate combination of different topological indices it is possible to select and design new active compounds in different therapeutical scopes, with a very high efficiency level. Particularly successful in the search of new "lead drugs", the results show the surprising ability of the topological methods to describe molecular structures.
在本文中，我们证明了通过适当组合不同的拓扑指数，可以在不同治疗领域高效地筛选和设计新的活性化合物。在寻找新“先导药物”方面尤其成功，结果显示了拓扑方法描述分子结构的惊人能力。
