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I. H. Hashmi , Himanshu , R. Karmakar and T. K. Patra , Extrapolative machine learning models for copolymers, Mol. Syst. Des. Eng., 2025, 10 , 158 —166

Extrapolative capabilities of different ML algorithms are analyzed for copolymers sequence to properties prediction.

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I. H. Hashmi , Karmakar R, Maniteja M, Ayush K, Patra TK. An explainable ML model for binary LJ fluids. Soft Matter. 2025 Sept 18;21(36):7100–9.

Discretizing RDF points lead to enhance ML models prediction. Explainable ML incorporated to determine vital features in input space.

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