Predicting physicochemical properties for GSK

Advanced Chemistry Development, (ACD/Labs) reports further deployment of its physicochemical property prediction software tools across GlaxoSmithKline (GSK) research centres in the USA, Europe, and Japan.

Drake Eggleston, VP of computational, analytical and structural sciences at GSK, states: "We are excited about the evolving collaboration with ACD/Labs, which represents one component of enhancement to our capabilities in the design and discovery of new medicines for many indications involving a variety of target classes and diverse chemotypes".

Antony Williams, chief science officer at ACD/Labs, adds: "Our colleagues in pharmaceutical R and D laboratories are conscious of the fact that physical properties such as hydrophobicity, acid/base behaviour, and solubility are crucial in the performance of active pharmaceutical agents.

"With continuing pressure on large pharmaceutical companies to deliver new drugs to markets, ACD/Labs tools are becoming increasingly important as support tools for their investigations.

"We are excited to both support and collaborate with scientists at GSK to ensure that our PhysChem solutions deliver to their needs".

The Batch version of LogD Suite will enable discovery scientists to automatically predict the pH-dependent measure of hydrophobicity, logD, as well as pKa, logP values, and related parameters for tens of thousands of compounds at a time with minimal operator intervention.

While standalone versions of the software were provided to specialists, LogD Suite Batch was also customised for worldwide accessibility through GSK's graphical user interface.

The entire suite of PhysChem Batch products is available to run on Windows, Sun, and Linux platforms.

1D and 2D NMR verification and processing tools from ACD/Labs have also recently been deployed onto the desktops of discovery scientists and specialists at GSK.