Simple way for making SMILES file #RDKit

To convert SDF to SMILES I write like a following code. In this way, to write smiles strings with properties it is needed to get properties by using GetProp(“some prop”). If I need several properties my code tend to be long. Greg who is developer of RDKit advised me to use SmilesMolWriter. ;) I haveContinue reading “Simple way for making SMILES file #RDKit”

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