目的开发基于机器学习的人类快速延迟整流性钾通道基因(the human Etherh-à-go-go-Reloted Gene,hERG)特异性打分函数(RF-hERG-Score),用于预测化合物对hERG的抑制活性(pIC_(50))。方法采用随机森林算法,以AutoDock Vina(传统打分函数...
support by Nature Science Foundation(2013225086);Science of Public Research Foundation(2014001015) from the Scientific and Technological Department of Liaoning Province and Innovation Team Project(LT2015011);General Research Project Foundation(L2014001) from the Education Department of Liaoning Province;Large-scale Equipment Shared Services Project(F15165400);Applied Basic Research Project(F16205151) from the Science and Technology Bureau of Shenyang~~