AI-MolProp Visualizer: Molecular Property Analyses & Visualization
Instructions
Upload a CSV file only.
The CSV must contain the columns
Database_ID
and
SMILES
.
Select one or more molecular properties.
Click
Calculate
.
Upload CSV File
Select Molecular Properties
Molecular Weight
Number of Rings
Topological Polar Surface Area
LogP
Number of Hydrogen Acceptors
Number of Hydrogen Donors
Calculate
Reset
Input File Requirements
Requirement
Description
File Type
CSV (.csv)
Mandatory Columns
Database_ID, SMILES
SMILES
Valid RDKit-compatible SMILES notation
Property Selection
Select at least one molecular descriptor