Integration will allow users to access full range of online and intranet services, including systematic naming generation, NMR and physico- chemical property prediction algorithms
Advanced Chemistry Development, (ACD/Labs) announces the integration of its web-based prediction and database search technology into the CambridgeSoft ChemDraw and MDL Isis drawing programs.
Predictors for Intranets and Online, previously known as I-Lab, can now be accessed through ChemSketch, CambridgeSoft ChemDraw, and MDL Isis Draw.
The integration will allow users of ChemDraw and Isis Draw to access, through a familiar structure drawing interface, the full range of online and intranet services, including systematic naming generation, and ACD/Labs's latest version 8.0 NMR and physicochemical property prediction algorithms and databases.
In version 8.0, both the 1H and 13C databases were expanded to include an additional 10,000 entries, resulting in over 165,000 organic structures with reference information and assigned chemical shifts for each of the HNMR and CNMR Predictors.
Considerable additions were also made to the 15N, 19F, and 31P NMR databases, as well as the pKa, LogP, and solubility physchem databases.
The intranet and iternet platforms accessed through ChemDraw and Isis will facilitate access to the chemical databases and property prediction services via the internet using Online, or from behind a firewall on a corporate server using Predictors for Intranets. Online provides access to services on a pay-per-transaction or subscription basis.
Predictors for Intranets will provide users of ChemDraw and Isis with the additional capability of training their predictions with user training databases created in-house.
