Articles with "qspr" as a keyword



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QSPR modeling of azeotropic temperatures and compositions for binary azeotropes containing lower alcohols using a genetic function approximation

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Published in 2019 at "Chinese Journal of Chemical Engineering"

DOI: 10.1016/j.cjche.2018.06.031

Abstract: Abstract Binary azeotropes, which contain two chemicals with a relative volatility of 1, are very common in the chemical industry. Understanding azeotropes is essential for effectively separating binary azeotropes containing lower alcohols. Experimental techniques and… read more here.

Keywords: containing lower; qspr; azeotropes containing; lower alcohols ... See more keywords
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Prediction of Combined Sorbent and Catalyst Materials for SE-SMR, Using QSPR and Multitask Learning

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Published in 2022 at "Industrial & Engineering Chemistry Research"

DOI: 10.1021/acs.iecr.2c00971

Abstract: The process of sorption enhanced steam methane reforming (SE-SMR) is an emerging technology for the production of low carbon hydrogen. The development of a suitable catalytic material, as well as a CO2 adsorbent with high… read more here.

Keywords: sorbent catalyst; qspr; multitask learning; combined sorbent ... See more keywords
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Topological Indices of Novel Drugs Used in Autoimmune Disease Vitiligo Treatment and Its QSPR Modeling

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Published in 2022 at "BioMed Research International"

DOI: 10.1155/2022/6045066

Abstract: A topological index is a real number derived from the structure of a chemical graph. It is helpful to determine the physicochemical and biological properties of a wide range of drugs, and it better reflects… read more here.

Keywords: qspr; indices novel; novel drugs; drugs used ... See more keywords