Hi Gus,

Have you try some ways to develop a scalfoldd based classification approch with PP?

Supposing I have a sd file with about 1000 molecules, and wants to classify these molecules using the scafoldd that are common in these molecules .

I try to make that with MCSS component, and  then use the MCSS result as the query of substrucutre filter. However, how to write the result of substrucure filter in seperate sd file comes a problem to me.

Could someone tell me how to fixed the problem?