ChemAxon: Released a report on the accuracy of property prediction tools.
パトコア
Accurately calculated molecular properties significantly impact the understanding of the relationship between predicted properties and measured values, the training of predictive models for new targets, and the prediction of properties for novel entities. ChemAxon's predictive tool, Calculator Plugins, is widely accepted and utilized in both industry and academic research, particularly for more complex molecular property predictions such as ionization, lipophilicity, and solubility. Continuous accuracy evaluation has been part of our strategy in the development of these algorithms. To make this step automated, reproducible, and transparent, we have decided to develop and publish a program that automatically generates reports on the system. For more details regarding this report, please check the link.
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