目的：药物透过血脑屏障是药代动力学的重要过程，Ｈ２受体拮抗剂是作用于神经外周的抗溃疡药物，为避免该类药物透过血脑屏障损伤中枢神经，产生毒副作用，指导该类药物的设计与合成。方法和结果：选择了不依赖于实验参数的比较分子力场分析（ＣｏＭＦＡ）方法和最近发展的本征值（ＥＶＡ）方法，建立了有关的三维药代动力学性质（３ＤＱＳＰＲ）模型。ＣｏＭＦＡ模型的统计参数为：交叉验证系数ｒ２ｃｖ＝０６２５，相关系数ｒ２＝０８９３，Ｆ３，１７＝４７２７０，标准偏差ＳＥ＝０２５４；ＥＶＡ模型的统计参数为：交叉验证系数ｒ２ｃｖ＝０６９７，相关系数ｒ２＝０９２２，Ｆ３，１７＝６７７６６，标准偏差ＳＥ＝０２０３。结论：两种方法都能建立三维定量构效模型，ＥＶＡ模型有更高的预测能力。 Objective: Drugs through the blood-brain barrier is an important process of pharmacokinetics, H2 receptor antagonist is acting on the peripheral nerve of the anti-ulcer drugs, in order to avoid these drugs through the blood-brain barrier damage to the central nervous system, toxic side effects, Guide the design and synthesis of such drugs. Methods and Results: The three-dimensional (3D-QSPR) model of pharmacokinetic properties was established using the comparative molecular force field analysis (CoMFA) method independent of experimental parameters and the recently developed eigenvalue (EVA) method. The statistical parameters of the CoMFA model are: cross-validation coefficient r2cv = 0.625, correlation coefficient r2 = 0893, F3,17 = 47270, standard deviation SE = 0254. The statistical parameters of EVA model are: Cross-validation coefficient r2cv = 0697, correlation coefficient r2 = 0922, F3, 17 = 67766, standard deviation SE = 0203. Conclusion: Both methods can establish three-dimensional quantitative structure-activity model and EVA model has higher predictive ability.