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. 2020 Jun 12;21(12):4208. doi: 10.3390/ijms21124208

Figure 1.

Figure 1

The problem definition of 3D chemo-centric screening. (a) BNDS-A as a new molecular framework. (b) The role of chemical similarity in virtual screening. (c) The role of chemical similarity in chemo-centric retro-virtual screening. (d) The workflow of this work of an unprecedented drug scaffold.