Browser-based prediction of physicochemical properties, nmr spectra, and chemical shifts with ACD/I-Lab | ACD/Labs
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ACD/I-Lab—Browser-based prediction of physicochemical properties, nmr spectra, and chemical shifts

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.