QSAR

Molecular structural characterization is an important technique in QSAR studies .

分子结构参数化是进行定量构效关系研究的重要组成部分和关键前提所在。

The recent progress of the 3D QSAR research and the applications of the method of receptor site model in 3D QSAR research have been reviewed .

综述了三维定量构效关系研究的最新进展以及受体作用位点模型方法在3D－QSAR中的应用。

The methods of pattern recognition in QSAR research by computer

分子构效关系研究的模式识别方法

Artificial Neural Network in Protein Structure Prediction and QSAR Application

人工神经网络在蛋白质结构预测和QSAR中的应用

QSAR Study on Chiral Chemicals and Further Application in Environmental Science

手性物质的QSAR研究及环境学意义

Computer software commonly used in QSAR and drug design

药物构效关系研究与药物设计中常用计算机软件

Application of genetic algorithms to variable selection in QSAR studies

遗传算法对QSAR研究中变量选择的应用

Structural description is a key step in the QSAR studies .

分子结构表征是定量构效关系研究的一个关键环节。

Flow of information through artificial neural network of chlorophenol QSAR model

多氯酚QSAR建模的人工神经网络信息流分析

Application of the Target Enzyme in Insecticidal Activity and QSAR Analysis

靶标酶在研究杀虫活性构效关系中的应用

Modified internal recurrent neural network and its application in QSAR

改进型内部递归神经网络在QSAR中的应用

A Novel QSAR Model Based on Geostatistics and Support Vector Regression

基于地统计学与支持向量回归的QSAR建模

QSAR and Its Application in Molecular Design of Novel Pesticides

QSAR及其在新型农药分子设计中的应用

And also introduced its basic principles and calculation methods and mainly applied fields in QSAR .

介绍了此法的基本原理、计算方法及其在定量－结构活性中的应用。

Studies on relationship between structure and antioxidation property of phenols using QSAR technique

屏蔽酚型抗氧剂的结构与抗氧化性能关系的计算机模拟

QSAR and Its Application and Advance in Pesticide Design

QSAR及其在农药设计中的应用和进展

Design and Synthesis of Novel Potassium Channel Openers and QSAR Studies

全新结构钾离子通道开放剂先导化合物的设计合成与QSAR的研究

The Application of QSAR Pesticide Design and Synthesis

定量构效关系在农药设计合成中的应用进展

Study on a QSAR model of the substituted benzene compounds based on artificial neural network

基于神经网络构建取代苯类化合物QSAR模型

A New Topological Index X for the QSAR Studies of Olefins

一种新拓扑指数X用于烯烃的QSAR研究

On the correlation of molecule descriptors used in QSAR study

定量构效关系研究中分子描述符的相关性

A new connectivity index for qspr / qsar study of alcohol

连接性指数对脂肪醇的QSPR/QSAR研究

Novel connectivity index for QSAR study of organic compounds

新的价连接性指数~mX用于有机化合物的QSAR

Comparative QSAR Study on a Novel Class of N-type Calcium Channel Blocks

一类新型N型钙通道阻滞剂的比较定量构效关系研究

QSAR analysis of cyclooxygenase inhibitor using gene expression programming

基因表达式编程在环氧酶抑制剂定量构效关系中的应用

Electronic parameter σ and its application in QSAR

电子参数σ及其在QSAR中的应用

QSAR study on environment properties and biological activities of nitrogen-containing heterocyclic compound

含氮杂环化合物环境参数及生物活性的QSAR研究

New 3D amino acid structure descriptors and its application to the polypeptide QSAR

新型三维氨基酸结构描述符的研究及其在多肽QSAR中的应用

In order to obtain optimal QSAR models , different methods have been developed for variable selection .

为了对众多的分子结构描述符进行筛选以得到最佳的QSAR模型，人们提出了各种变量选择方法。

QSAR Methods for Toxicity Study of Organic Chemicals

环境化学中有机化合物毒性的QSAR研究方法