MolProp TK Examples¶
The following table lists the currently available MolProp TK examples:
Program |
Description |
---|---|
basic filtering for a molecule file |
|
silencing OEFilter logging messages |
|
generating tabular output of all molecular properties |
|
extract specific property (Lipinski violations) from table output |
|
attach molecular properties as SD data |
|
write molecular properties to a CSV file |
Examples: