Building-block Computation of Wiener-type Indices for the Virtual Screening of Combinatorial Libraries

Croatica Chemica Acta

Klein, Douglas J.¹  Ivanciuc, Ovidiu¹ 

[1] Department of Marine Sciences, Texas A & M University at Galveston, Fort Crockett Campus, 5007 Avenue U, Galveston, TX 77551, USA

关键词: virtual combinatorial libraries;    drug discovery;    topological indices;    Wiener index;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

Screening Virtual and synthetic combinatorial libraries may facilitate rapid drug lead discovery by selecting subsets of molecules ac-cording to their similarity or dissimilarity toward specific compound collections. Topological indices...

【 授权许可】

Unknown