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)
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