chem_screen.tbl

This file contains the interaction matrix for how to scale the contribution of each chemical key when computing the overall similarity.

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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