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ACD/I-Lab: PhysChem, ADME and Tox Prediction, and Name Generation

October 7, 2016

Are you an academic in the UK? Did you know you have free access to numerous predictions and tools via the RSC National Chemical Service Database?

Reduce the need for labor intensive experimental testing and literature searches; and learn and teach with theoretical/predicted data using the online ACD/I-Lab prediction engine. Predict physicochemical properties, NMR spectra and chemical shifts, and ADME toxicities. The browser-based I-Lab software also assesses prediction reliability and includes searchable content databases.

I-Lab predictions are made using the same advanced algorithms that power ACD/Labs' full desktop software suites, giving you the same highly accurate predictions without the need for individual software installations.

See how you can access and use these tools in your research and learning.

ACD/I-Lab: PhysChem, ADME and Tox Prediction, and Name Generation

Friday, 7th October 2016, 2:00–3:00 GMT

Learning Objectives

  • How to input chemical structures in I-Lab
  • Generating names from structures
  • Predicting ADME properties
  • Predicting Toxicity parameters
  • Generating reports


  • UK Academics
  • New software users
  • Potential users interested in software capabilities
  • Current users who need tips and tricks to use the software