BioChemCalc

Structural Isomer Cumulative molecular fingerprinting (SIC) Calculator

Result Plot

Structural Isomer Cumulative molecular fingerprinting (SIC) Calculator

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) .