Hello ,
I want to do a recursive fragmentation based on the paper
http://pubs.acs.org/doi/full/10.1021/acs.jmedchem.7b00809
Right now generate components doesn't generate the way as discussed in the paper. I want to remove ring, linker, and substituent in first iteration. From the paper in figure 1 I want to generate node2, node3 node4 and node5 from the starting molecule.Can anyone help me on this fragmentation. Other ideas always welcome ?
I want to do a recursive fragmentation based on the paper
http://pubs.acs.org/doi/full/10.1021/acs.jmedchem.7b00809
Right now generate components doesn't generate the way as discussed in the paper. I want to remove ring, linker, and substituent in first iteration. From the paper in figure 1 I want to generate node2, node3 node4 and node5 from the starting molecule.Can anyone help me on this fragmentation. Other ideas always welcome ?
