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paracetamol
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Experimento Paracetamol1. Carregar dadosload g1.mat
2. Plotar os espectrosplot(num,xcal)plot(num,xval)plot(num,xmed)
3. Transformar em log(1/R)xcalt=log10(1./(xcal./100));xvalt=log10(1./(xval./100));xmedt=log10(1./(xmed./100));
plot(num,xcalt)plot(num,xvalt)plot(num,xmedt)
4. Aplicar MSC:xmscal=msc(xcalt,1,3112);xmsval=msc(xvalt,1,3112);xmsmed=msc(xmedt,1,3112);
plot(num,xmscal)plot(num,xmsval)plot(num,xmsmed)
5. Validao cruzada para encontrar o nmero de PCs[rmsecv,yh,e]=plscv(xmscal,ycal,0,5)plot(rmsecv)
6. Previso da Calibrao[ypred1]=plspred(xmscal,ycal,xmscal,0,2)plot(ycal,ypred1,o)[ycal ypred1]
7. Previso da Validao
[ypred2]=plspred(xmscal,ycal,xmsval,0,2)plot(yval,ypred2,o)[yval ypred2]
8. Previso dos Medicamentos
[ypred3]=plspred(xmscal,ycal,xmsmed,0,2)
ypred3