Kubinyi二线模型的TI-59程序设计

Programming for TI programmable 59 of Kubinyi's bilinear model

摘要: 定量构效关系中,反映生物活性和疏水特征的Kubinyi二线模型是由McFarland概率模型衍得的。该模型在非线性的疏水性和活性间的关系中,其计算值和实验值间没有系统误差。二线模型的β项是非线性项,需用迭代法加以求算。本文用Taylor系列法研究了TI—59的Kubinyi二线模型程序设计。该程序计算迅速而精确。
- Kubinyi二线模型 /
- 定量构效关系 /
- TI—59可编程序计算器
Abstract: Kubinyi's bilinear model showing the relationships between biological activity and hydrophobic character in QSAR is derived from McFarland's probability modal. This new model describes non-linear lipophilicity -activity relationships without systematic deviations. The β of the bilinear model is a non-linear term which must be calculated by an iteration procedure. This paper deals with programming Kubinyi's bilinear model for the TI programmable 59 by using the Taylor theorem. The program is rapid and accurate at figures.
- Kubinyi's bilinear model /
- QSAR /
- TI Programmable 59 calculator