Activity-difference maps and consensus similarity measure characterize structure-activity relationships

被引：0

作者：

José L Medina-Franco

Austin B Yongye

Jaime Pérez-Villanueva

Richard A Houghten

Karina Martínez-Mayorga

机构：

[1] Torrey Pines Institute for Molecular Studies,Departament of Biological Systems

[2] UAM-X,undefined

来源：

关键词：

Structural Representation; Dimensional Representation; Activity Difference; Similarity Information; Decrease Activity;

D O I：

10.1186/1758-2946-4-S1-P24

中图分类号：

学科分类号：

摘要：

引用

共 24 条

[1] Pérez-Villanueva J(2011)Structure-Activity Relationships of Benzimidazole Derivatives as Antiparasitic Agents: Dual Activity-Difference (DAD) Maps Med Chem Comm 2 44-49
[2] Santos R(2011)Design of Multitarget Activity Landscapes that Capture Hierarchical Activity Cliff Distributions J Chem Inf Model 51 258-266
[3] Hernández-Campos A(2006)On Outliers and Activity Cliffs-Why QSAR Often Disappoints J Chem Inf Model 46 1535-1535
[4] Giulianotti MA(2009)Characterization of Activity Landscapes Using 2D and 3D Similarity Methods: Consensus Activity Cliffs J Chem Inf Model 49 477-491
[5] Castillo R(2011)Consensus Models of Activity Landscapes with Multiple Chemical, Conformer and Property Representations J Chem Inf Model 51 1259-1270
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[9] Wassermann AM(undefined)undefined undefined undefined undefined-undefined
[10] Bajorath J(undefined)undefined undefined undefined undefined-undefined