BioChemCalc
Tool Overview:
The SIC Calculator (Structural Isomer Cumulative molecular fingerprinting) is a component of
BioChemCalc that quantifies
structural isomeric similarity based on cumulative molecular fingerprints.
It enables rapid comparison of isomeric molecules and the evaluation of
structure–property relationships using standardized descriptors.
How to Use:
1.Prepare a CSV file containing the column SMILES for the target compounds.
2.Upload the file using the “Select CSV” button and click “Start”.
3.Up to 100 entries can be processed at once.
4.Results can be visualized interactively and downloaded in CSV format using the “Result Download” button.
Reference Paper:
Taihei Torigoe. Structural Isomer Cumulative molecular fingerprinting method (SIC) for standardizing structural isomeric relationships.
Communications Chemistry (Nature Publishing Group)
.