Molecular Basic Parameter Calculation "Elemental Analysis"
ChemAxon Elemental Analysis: Elemental Analysis
Available with Marvin license! Calculates and displays values related to the elemental composition of molecules.
Patocoa handles the "Elemental Analysis Group," suitable for basic items such as molecular weight and chemical formula. Calculates and displays values related to the elemental composition of molecules. Available with a Marvin license. 【Values calculated and displayed (excerpt)】 ■Mass: molecular mass ■Exact mass: molecular mass calculated from the most frequent natural isotopes of the elements ■Formula: chemical formula of the molecule 【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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basic information
【Values to Calculate and Display】 ■Isotope formula: chemical formula of the molecule listing isotopes separately ■Dot-disconnected formula: chemical formula of the molecule separating fragment formulas by dots. ■Composition: elemental composition (w/w %) ■Isotope composition: elemental composition listing isotopes separately (w/w %) ■Atom count: number of atoms in the molecule. 【Usage Types】 ■As a plugin for Marvin Sketch ■As a cxcalc command line tool ■As a feature of Chemical Terms ■Various APIs such as Java, .NET, Microservice *For more details, please refer to the PDF document or feel free to contact us.*
Price information
This product is available for use under the license of Marin Beans.
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【Purpose】 ■Basic items such as molecular weight, chemical formula, etc.
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Patocoa Inc. is a specialized company in drug discovery support systems. We are also focused on improving and streamlining compliance-related operations concerning regulated substances, and we have provided various solutions primarily to pharmaceutical companies, as well as chemical companies, universities, and government agencies. We contribute to accelerating drug discovery and reducing costs with our cutting-edge cheminformatics systems.