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Job Name
Enter a unique name to identify this analysis session. Example: rdkit_analysis_test1. It will be used for organizing output files.
Select Input Method
Choose how you would like to provide molecular input: by directly typing SMILES or uploading a CSV file.
SMILES Text Input
CSV File Upload
SMILES
Enter the SMILES string of the molecule you want to analyze. Example: 'CCO' for ethanol or 'c1ccccc1' for benzene.
Compare SMILES (Optional)
(Optional) Enter a second SMILES string to compute structural similarity (Tanimoto score) with the first molecule.
SMARTS Pattern (Optional)
(Optional) Enter a SMARTS pattern to search and highlight specific substructures within the main molecule.
Core SMARTS (Optional)
(Optional) Specify a SMARTS core structure. Useful for R-Group decomposition and core-based substructure analysis.
R-Group Fragments (Optional)
(Optional) List R-Group fragments separated by commas. Used for R-Group attachment analyses based on the core SMARTS.
Run Analysis
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