Reduce the need for labor intensive experimental testing and literature searches, using ACD/I-Lab—an online prediction engine that provides prediction of physicochemical and ADME properties, toxicity endpoints, NMR spectra, and chemical shifts. Browser-based I-Lab also assesses prediction reliability and includes searchable content databases.
I-Lab delivers the advanced algorithms developed for our desktop software without the need for individual software installations. A site license allows unlimited predictions for all of your organization's users, while I-Lab for Intranets API can be implemented on servers behind your own firewalls.
How I-Lab Works
Predictions are generated from structures, input in a variety of forms. Draw a structure in the I-Lab interface, paste a structure from ACD/ChemSketch, 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.
I-Lab works on a credit-based system. 10 credits provide one prediction of a property, spectrum, or chemical nomenclature result. Bundles of credits may be purchased via Paypal.