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Regular version of the site

Book chapter

Various Machine Learning Methods Efficiency Comparison in Application to Inorganic Compounds Design

P. 152-156.
Sen’ko O., Kiselyova N., Dudarev V., Dokukin A., Ryazanov V.

Various machine learning methods («Recognition» package and «Scikit-learn» package for Python) accuracy comparison was made on example of inorganic chemistry tasks solution. The crossvalidation and the ROC-analysis were applied to accuracy estimation