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Analog Explorer
Input
Accepts SMILES ID or ID SMILES (whitespace or tab). If a file is provided, it is used.
Idle
View
0.00170
No fields
Custom regions: define named SAR regions on the parent (atoms), and analogs will be grouped by which region(s) the change attaches to (from MCS).
Regions
0 atoms
Turn on Edit regions, pick a region chip, then click atoms on the parent to assign them to that region. Regions are exclusive (an atom belongs to only one region).
Parent
0 analogs
No selection
Click an analog to inspect / edit.
Select an analog to view it here.
Tip: the highlight shows atoms not in the MCS vs the parent (i.e., where the analog differs). Turn on “Edit highlights” to tweak.