I-Lab
Pay-per-Use Browser-Based Predictions
Name chemical structures; predict physicochemical and ADME properties, toxicity endpoints, and NMR spectra.
I-Lab delivers the advanced algorithms from our desktop software without the need to purchase individual software modules.
Register for an account and purchase credits
Draw or paste a structure, upload a SMILES string, or look up a compound in the built-in dictionary
Select a module to predict the property or spectra of interest, or generate a systematic name or structure for the molecule
Generate a report by saving the results to a PDF
1 Most predictions have a cost of 10 credits per structure-based prediction, while others are free. A paid account is required to access the program.
2 Generate systemic names (IUPAC and names based on CAS rules) for compounds containing up to 255 atoms (excluding H), and structures from chemical names.
3 Included molecular descriptors are available free of charge with a paid account.
4 Generate IUPAC names for molecules with up to 50 non-metal atoms.