CINF TECHNICAL SESSION ABSTRACTS
ACD/ILab AS A UNIVERSAL WEB FRONT-END TO CHEMICAL INFORMATION RESOURCES
Valeri Kulkov, Antony J. Williams
216th American Chemical Society National Meeting Boston, MA, August 23-27, 1998
The Interactive Laboratory, ACD/ILab, is a universal Web front-end to chemical information resources, property
prediction programs and chemical databases. ILab utilizes Java-based structure drawing and spectral display applets
to provide structure submissions and spectra visualizations. We have developed an open server interface for connecting
third party chemical information resources to the ILab server. The actual resource can be located anywhere on the
network, thus enabling a uniform user interface to chemical information that is distributed globally. Currently,
the following database searches and property predictions are available at ILab: IUPAC and CAS name generation,
H-1 NMR and C-13 NMR spectrum prediction, pKa database search (over 9000 structures), pKa prediction, logP/logD
prediction, BP prediction, Vapor pressure prediction, etc. and others, 22 services in total.
View the PowerPoint Presentation as a web site.
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