chem_screen.tbl
This file contains the interaction matrix for how to scale the contribution of each chemical key when computing the overall similarity.
-
The labels must be identical to labels in
chem.defn
.
-
The table flag indicates the beginning of the interaction table.
-
Each element is a scaling factor.
For an explanation of the definition field, see
Atom definition rules on page 104
.
Table 13. Example of chem_screen.tbl
label null
label hydrophobic
label donor
label acceptor
label polar
table
0
0 1
0 1 1
0 1 1 1
0 1 1 1 1
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© UC Regents 1998
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