Descriptor-based Fitting of LPA3 Inhibitors into a Single Predictive Mathematical Model

Descriptor-based Fitting of LPA3 Inhibitors into a Single Predictive Mathematical Model

Sixty six diverse compounds previously reported as Lysophosphatidic Acid Receptor (LPA3) inhibitors have been used to derive a mathematical model based on partial least square (PLS) clustering of 41 molecular descriptors and pIC50 values. The pre- and post- cross-validated correlation coefficient (R...

Full description

Bibliographic Details
Main Authors: Olaposi Idowu Omotuyi, Hiroshi Ueda
Format: Article
Language:English
Published: Biomath Forum 2014-10-01
Series:Biomath
Subjects:
LPA3
LPA3 antagonists
Mathematical Model
PCA
Molecular descriptors
Online Access:http://www.biomathforum.org/biomath/index.php/biomath/article/view/181

Internet

http://www.biomathforum.org/biomath/index.php/biomath/article/view/181

Similar Items