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About MolDescriptor

MolDescriptor is a simple, free webtool for anyone who wants to calculate molecular descriptors. Molecular structures are submitted in the SMILES notation, select descriptors from the RDKIT package and the website will calculate these for you. You can downlaod the results as a CSV-file, and it's also possible to calculate a batch set of descriptors for multiple structures by uploading a CSV-file, which in turn can also be downloaded as a CSV-file.

Credits & Acknowledgments

We're grateful to the following projects and contributors for their code and resources: