Reduce the need for labor intensive experimental testing and literature searches, by using the online ACD/I-Lab prediction engine to predict physicochemical properties, NMR spectra and chemical shifts, and ADME toxicities. The browser-based1 I-Lab software also assesses prediction reliability and includes searchable content databases.

I-Lab predictions are made using the same advanced algorithms that power our full desktop software suites, giving you the same highly accurate predictions without the need for individual software installations. I-Lab provides free basic physicochemical properties, and pay-per-use predictions for NMR spectra/chemical shifts/coupling constants, nomenclature and structure generation, and advanced physicochemical, ADME, and Toxicity properties.

View all of the predictions that you can make

Register for ACD/I-Lab
  1. Register for I-Lab and receive 100 complimentary credits. Additional credits may be purchased with major credit cards and PayPal™ from within the I-Lab interface.
  2. Draw a structure in the I-Lab interface, paste a structure from ACD/ChemSketch, upload a SMILES structure, or simply look up a structure in the built-in dictionary.
  3. 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.

Bring ACD/I-Lab to everyone in your organization! Contact us today about a site license.

ACD/I-Lab Intranet allows hosting of the system on your intranet, providing the same access to an organization’s scientists while ensuring compliance with intellectual property guidelines.

1See minimum browser system requirements.
2From a predefined list of atoms, excluding metals.