CDS email message - CDS/12/04/30
Sent 30 Apr 2012
I-Lab 2.0 now available
A new version of the web based ACD/Labs I-Lab is now available.
I-Lab 2.0 allows much improved searching, prediction and display
for the existing NMR, Phys Chem and Naming modules.
For example, LogP calculations will show a molecule where lipophilic
parts are highlighted in green, hydrophobic groups in red and the
intensity of the colour indicates the predicted degree of
lipophilicity or hydrophobicity of an atom or a substructure.
In addition, two new modules have been added for a trial period:
A collection of software modules that provide predictions relating
to the pharmacokinetic profiling of compounds, specifically their
Absorption, Distribution, Metabolism, and Excretion properties.
A collection of modules that predict probabilities for basic toxicity
endpoints and includes such things as Acute Toxicity, Aquatic Toxicity
and Eye/Skin Irritation.
Click on I-Lab2.0 Trial - web access from the Access Data menu.