Title : Quantitative structure-activity relationship study on BTK inhibitors by modified multivariate adaptive regression spline and CoMSIA methods.

Pub. Date : 2015

PMID : 25906044






2 Functional Relationships(s)
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1 In this study, two- and three-dimensional quantitative structure-activity relationship (2D and 3D-QSAR) analyses were performed on a series of pyridine and pyrimidine-based BTK inhibitors by means of genetic algorithm optimized multivariate adaptive regression spline (GA-MARS) and comparative molecular similarity index analysis (CoMSIA) methods. pyrimidine Bruton tyrosine kinase Homo sapiens
2 Twenty-five pyridine and pyrimidine derivatives as novel potential BTK inhibitors were finally selected for further study. pyrimidine Bruton tyrosine kinase Homo sapiens