OREANDA-NEWS. July 15, 2015. Cyprotex PLC (AIM:CRX), a specialist Contract Research Organisation (CRO), announced today the launch of its new predictive modelling solution, chemPKTM, which predicts human pharmacokinetics directly from chemical structure. Pharmacokinetics is defined as the study of the concentration of drug in the body over time, and is based on the absorption, distribution, metabolism and excretion of a drug.

Our new chemPKTM solution has been developed by Cyprotex's Scientific Computing Team using PBPK (physiologically based pharmacokinetic) predictive modelling. Cyprotex have considerable expertise in this technique, having previously developed and launched the proprietary modelling software, Cloe® PK and Cloe® HIA. chemPKTM is a virtual screening tool meaning that it can be employed before chemical synthesis of a molecule and does not require any data inputs. This provides significant cost benefits and can be used as an early stage filter for directing chemistry and prioritising in vitro screening taking account of the predicted human pharmacokinetics.

chemPKTM is unique in that the model has been optimised directly on human clinical data, and so provides a more robust approach as compared to alternative models that use QSAR (quantitative structure activity relationship)-based methods for predicting their input parameters. chemPKTM is implemented as a collection of nodes for the widely used KNIME workflow management platform, enabling its use in either desktop or server environments, and facilitating its interaction with many other cheminformatics, analytics and modelling tools.

Dr Anthony Baxter, Cyprotex's Chief Executive Officer, comments: 'Our new chemPKTM solution provides significant advantages over existing products in the market. It will provide our customers with an insight into the expected exposure of a molecule in the human body at an early stage enabling them to only synthesise compounds with the best chance of success.'