CATEGORY
Input/Output
SOURCE
RDKit
DESCRIPTION
Verify that the molecules are valid according to RDKit
INPUTS
A dataset of molecules
OUTPUTS
A dataset of molecules
OPTIONS
| Filter mode | How to filter results: INCLUDE_PASS, INCLUDE_FAIL, INCLUDE_ALL |
ADDITIONAL INFO
It may seem counter-intuitive that the input to this cell is a dataset of molecules. If the molecules were not valid now could they be molecules?
This is a consequence of how we handle molecules as our MoleculeObject, which is described in more detail in the Key Concepts page.
It can sometimes be useful to verify that a particular toolkit is able to handle a set of molecules, and remove ones that cannot be handled at the start.
If your dataset is not of type molecules (e.g. you read a CSV text file) then to use this cell you must first convert to molecules using the Convert to Molecules cell.