The Research on ACEI 3D Receptor Model by Using PARM
Min Shen · Jisuanji yu yingyong huaxue · 1999
ACEI is a kind of antihypertensive drugs, which was developed very fast in recent years. Based on a new genetic evolved algorithm, PARM (Pseudo Atomic Receptor Model), some reasonable results have been obtained in the research of ACEI 3D-receptor model. A QSAR equation that is in the linear form of bioactivity=A+B\+*E inter was established, Einter is the total binding energy when a ligan molecule interacts with the target protein (receptor). The correlation coefficient of the linear equation R is 0 895, the cross\|validated R 2 is 0 738 and the standard error of the training set S is 0 236. By using this optimal receptor model, the good predict results were obtained too.