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Experimento Paracetamol 1. Carregar dados load g1.mat 2. Plotar os espectros plot(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)

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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