High-Precision Physical Property Prediction 'Calculator Plugins'
Efficient evaluation of physicochemical properties and molecular descriptors related to pharmacology! Property calculation plugin.
"Calculator Plugins" is a chemoinformatics toolkit based on integrated technology that achieves high performance and diverse applications. By implementing it, calculations and property predictions become possible, efficiently evaluating physicochemical properties and molecular descriptors that are pharmacologically relevant, even for hundreds of thousands of compounds, making it a powerful tool for lead generation and lead optimization. Our product line is divided into six groups called "bundles," allowing you to choose the necessary bundle based on the items you wish to calculate. [Features] ■ Achieves high performance and diverse applications ■ Efficiently evaluates pharmacologically relevant physicochemical properties and molecular descriptors ■ A powerful tool for lead generation and lead optimization ■ Divided into six groups called "bundles" ■ Choose the necessary bundle based on the items you wish to calculate *For more details, please refer to the PDF materials or feel free to contact us.
basic information
【Lineup】 ■ADMET Plugin (hERG Inhibition Prediction) ■Protonation Plugin (pKa Prediction) ■Partitioning Plugin (LogP, LogD Prediction) ■Solubility Plugin (Solubility Prediction) ■NMR Predictor Plugin (NMR Spectrum Prediction) ■Isomers Plugin (Isomer Generation) ■Structural Calculations Plugin ■Elemental Analysis *For more details, please refer to the PDF document or feel free to contact us.
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Model number/Brand name
ChemAxon Calculator Plugins: Calculator Plugins
Applications/Examples of results
【Purpose】 ■ Efficient evaluation of physicochemical properties and molecular descriptors related to pharmacology 【Usage】 ■ As a plugin for Marvin Sketch ■ As a cxcalc command line tool ■ As a feature of Chemical Terms ■ Utilized in custom applications using various APIs such as Java, .NET, and Microservices * For more details, please refer to the PDF document or feel free to contact us.
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Patocoa Inc. is a specialized company in drug discovery support systems. Additionally, we focus on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions to pharmaceutical companies, chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge chemoinformatics systems.