ATP861 发表于 2025-3-23 09:47:52
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Case Studies,ncy are searched for. 32 substances were synthesized as derivatives of diclofenac. The modifications were done by substituting the H-atoms at 6 different positions of the basic molecular structure in the following way (see Figure 6.1.1):Congestion 发表于 2025-3-24 01:31:36
Introduction, observable phenomena. Second, it must be parsimonious, that is if another theory gives similar answers to the considered problems, the simpler theory should be preferred. One would therefore think that predictability and parsimony are of fundamental interest if statistical methods are applied to rebiosphere 发表于 2025-3-24 05:27:02
Quantitative Structure Activity Relationships (QSAR), and pharmaceutical industry. The process of finding biologically active compounds is very research-intensive and time consuming, illustrated by the fact that typically only about 1 of 10’000 synthesized chemical substances can finally be used as a commercial product The starting point for the devel分散 发表于 2025-3-24 09:51:31
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Heuristic Multivariate Prediction Methods,riate prediction methods has been given in chapter 2. Unless the predictors are set according to an experimental design, the predictors are correlated. The presence of severe multicollinearity among the predictor variables is the cause for instabilities of prediction methods such as multivariate regMuscularis 发表于 2025-3-24 18:37:22
Classical Analysis of Reduced Rank Regression,ltivariate prediction. The methods are closely linked to many standard linear multivariate methods such as canonical correlation analysis (Tso, 1981), redundancy analysis (van den Wollenberg, 1977), canonical discriminant analysis (Izenman, 1986) and principal component analysis (Izenman, 1975). Sli农学 发表于 2025-3-24 22:36:57
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Case Studies,ncy are searched for. 32 substances were synthesized as derivatives of diclofenac. The modifications were done by substituting the H-atoms at 6 different positions of the basic molecular structure in the following way (see Figure 6.1.1):