摘要
Based on the results obtained from projection pursuit, all cycloalkanes investigated show an interesting classification. Thus, a new variable named class distance variable of cycloalkane, which essentially describes information of branch, number of rings in the molecules and homologous series for cycloalkanes, is proposed. With the help of the new variable, both of fitting and prediction accuracy of the regression model can be dramatically improved.
Based on the results obtained from projection pursuit, all cycloalkanes investigated show an interesting classification. Thus, a new variable named class distance variable of cycloalkane, which essentially describes information of branch, number of rings in the molecules and homologous series for cycloalkanes, is proposed. With the help of the new variable, both of fitting and prediction accuracy of the regression model can be dramatically improved.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2003年第10期1795-1797,共3页
Chemical Journal of Chinese Universities
基金
国家自然科学基金 (批准号 :2 0 175 0 3 6)资助
