Shared knowledge from leading in silico prediction tools

Lhasa Limited announces the latest knowledge updates to its prediction software Derek for Windows and Meteor, providing members with improved depth of knowledge and relevant research data.

Meteor, the metabolite prediction system, is going from strength to strength. Its innovative results display has been developed in close collaboration with users and is designed to provide an intuitive view of biotransformation pathways and metabolites.

For this release the Meteor knowledge base has been extensively updated with new and improved biotransformations. For example, the way Meteor understands the hydrolysis of carboxylic esters and amides has been improved whilst information about the epoxidation of alkenes has been completely reviewed so that the original, single biotransformation has been replaced with eleven new biotransformations.

The Meteor knowledge base has been enhanced by the incorporation of enzyme information and examples to a number of existing biotransformations. “This work represents significant development in the Meteor knowledge base,” commented Geraldine Poignant, Head of Customer Support, “and provides industry with more information and more reliable predictions of the metabolic fate of chemicals.”

Derek for Windows is the toxicity prediction system from Lhasa Limited. In this release, scientists in the Derek for Windows Knowledge Base team worked to the priorities of user organisations in the pharmaceutical and personal products industries. The key areas of improvement are for the toxicological endpoints of carcinogenicity, mutagenicity and chromosome damage. The team has also expanded the amount of supporting evidence in the Derek for Windows knowledge base.

Nicole McSweeney, Head of Sales, explained that “Derek for Windows leads the way in transparent toxicity predictions and its strength is in the quality and transparency of the data, which our members find is vital for in-depth research and decision making.”