Abstract:
In a quantitative drug design, correlation coefficient matrix of physico-chemical indices X
i is often pathological when there indices are highy correlated. Theregression equation of biological activity Y about there indices X
i obtained in this case isnot stable. In this paper, a method is given to obtain a stable regression equation:giving acritical valne
α and finding out the indices among which correlation coefficient is not lessthen
α, The following are the rules to reject some of them. If X
i and X
j is highly correlated(|r
ij|≥
α, r
ij is the correlation coefficient of X
i and X
j, and |r
in|>|r
jn|(r
in and r
jn are correlation coefficients of X
i and X
j about Y, respectively), then the index X
j is rejected, other-wise, X
i is rejected. Stable equation can be obtained by stepwise regression with the re-maining indices.