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In Silico

chemPK™ - Prediction of human pharmacokinetics from chemical structure

chemPK™ is a workflow-based solution that predicts human pharmacokinetic parameters directly from chemical structure using a PBPK modeling approach. It predicts blood (or plasma) and tissue time-concentration profiles following oral and intravenous dosing regimens (for single and repeat doses).

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chemTox - Prediction of toxicity from chemical structure

chemTox is a workflow-based solution that predicts key toxicity parameters such as Ames mutagenicity and rat acute dose LD50 as well as aqueous solubility directly from chemical structure.

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chemTarget™ - Prediction of biological target interaction directly from chemical structure

chemTarget is a virtual screening tool that predicts biological target interaction (e.g., binding affinity) directly from chemical structure. It can also be used in conjunction with chemPK™ to predict in vivo target engagement.

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DDI-Fusion - Prediction of human drug-drug interactions from chemical structure and in vitro data

DDI-Fusion is a workflow-based solution which combines in vitro data with chemical structure to predict human DDI.

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Cloe® PK - Pharmacokinetic prediction using PBPK modeling

Cloe® PK is an innovative software system that uses PBPK in silico modeling for pharmacokinetic simulation. The software integrates ADME and physicochemical data to simulate drug exposure and duration of drugs in blood, major tissues and organs as well as the prediction of key parameters such as absorption, clearance, half-life, volume of distribution and bioavailability.

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Cloe® HIA - Prediction of human intestinal absorption

Cloe® HIA is a reliable physiological model which uses a combination of solubility, pKa and Caco-2 permeability data for the prediction of human intestinal absorption of an orally administered compound.

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Auto QSAR and automation of laboratory workflow

The Cyprotex Discovery Bus is a novel and powerful software platform designed to enhance efficiency in drug discovery by automating human decision making and information handling using intelligent workflow. Applications include auto QSAR and automation of laboratory workflow processes.

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