CHEM.PTML Laboratory

Molecular Descriptors Calculation for SMILES

Atom types

Atoms properties


Option 1: Upload smiles file with multiple reactions (example).. Be aware, max size allowed 100 KB (*.csv or *.txt file)
For special necesities beyond this limit contact web server administrator, please.


Option 2: Paste here SMILE codes (example). Aprox. up to 100 molecules with 50 atoms
Please, if you need to process a larger set use upload option "From txt file" (top panel).
SMILES inserted

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