This function helps to extract a certain property from an SDF file. Usually the molecule class, like "active/non-active" or a property of the molecule, like "biological activity", is also stored in the SDF file. These values often serve as targets for a prediction task. This function is a small wrapper that extracts the information.
A character containing the name of the SDF file.
The name of the slot in the SDF.
A character vector with one value per molecule.
Guenter Klambauer <[email protected]>
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