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DescriptorsCalculator: Provide the molecules
Provide the molecules, choose the descriptor types and download the descriptor values as an Excel, CSV or SDF file
Provide the compounds to calculate molecular descriptors for:
Upload compounds from a file
SDF, MOL2, SMILES or an Excel sheet
Draw Molecule
click on depiction to the right to draw
[molecule profile]
Name/CASRN/SMILES:
e.g., "CC=CCC" or "Aspirine"
load structure
Choose a previously prepared set:
[...]
Select molecules by a tag:
[...]
Template name: descriptorscalculator/dc-choose-compounds