Concepedia

Machine learning for predicting the viscosity of binary liquid mixtures

Camille Bilodeau, Andrei F. Kazakov, Sukrit Mukhopadhyay, Jillian Emerson, Tom Kalantar, Chris D. Muzny, Klavs F. Jensen

Chemical Engineering Journal · 2023 · 65 citations · 28 references

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Concepts

References

28

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

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Monotone Piecewise Cubic Interpolation

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Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle Swanson, Wengong Jin et al. · Journal of Chemical Information and Modeling · 2019 · 1.8K citations · Full text

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New group contribution method for estimating properties of pure compounds

Leonidas Constantinou, Rafiqul Gani · AIChE Journal · 1994 · 1.2K citations

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