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MOE 2022 provides sophisticated tools for building, minimizing, and simulating molecular structures. Its advanced algorithms and graphical user interface (GUI) make complex modeling tasks more accessible.

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: The software includes tools for quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) modeling, facilitating the prediction of biological activities and physicochemical properties.

The latest version of MOE introduces several new features and improvements, including: