ADMEWORKS Predictor is a high-speed virtual (in silico) screening system intended for simultaneous evaluation of the ADMET properties of compounds. It complements existing in silico technologies for evaluating pharmacological properties. Simultaneous evaluation of the pharmacological as well as the ADMET properties of compounds is useful in the discovery phase to produce balanced quality hits, and also in the lead optimization phase to lessen the occurrence of faulty leads. ADMEWORKS Predictor also makes it possible to prioritize while simultaneously evaluating these properties. By freely ranking the properties according to their relative importance, ADMEWORKS Predictor allows for a more focused screening of compounds, stressing only the properties that are of highest interest.
ADMEWORKS Predictor seamlessly integrates with ADMEWORKS ModelBuilder (optional product), which allows creation of customized models to be used for the prediction of compound properties. ADMEWORKS ModelBuilder is a tool dedicated to the building of mathematical models that can later be used for predicting various chemical and biological properties of compounds. A set of data on molecular structures and their respective experimental values of the property of interest is a prerequisite for every model building. Two types of models can be built using systems: Qualitative (Discriminant Function) and Quantitative (Multiple Linear Regression).
ADMEWORKS Predictor also provides support for legacy systems and models through a comprehensive interface, and is highly scalable as it allows integration with other third party computational tools.