Norm index-based QSPR model for describing the n-octanol/water partition coefficients of organics
Sign Up to like & getrecommendations! Published in 2020 at "Environmental Science and Pollution Research"
DOI: 10.1007/s11356-020-08020-y
Abstract: The n-octanol/water partition coefficient (logKow) is widely used in the environmental, agricultural and pharmaceutical fields for the risk evaluation and application of organic chemicals. In this work, grounded on atomic distribution matrices, a norm index-based… read more here.
Keywords: water partition; index based; octanol water; norm index ... See more keywords
A QSPR model for estimating Henry's law constant of H2S in ionic liquids by ELM algorithm.
Sign Up to like & getrecommendations! Published in 2020 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2020.128743
Abstract: Ionic liquids (ILs) as green solvents have been studied in the application of gas sweetening. However, it is a huge challenge to obtain all the experimental values because of the high costs and generated chemical… read more here.
Keywords: h2s; model; qspr model; estimating henry ... See more keywords
Enhanced Photocatalytic CO2 Reduction by Novel Designed Porphyrin-Based MOFs: From Accurate QSPR Model to Experimental Exploration
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DOI: 10.1021/acsomega.2c03724
Abstract: A reliable quantitative structure–property relationship (QSPR) model was established for predicting the evolution rate of CO2 photoreduction over porphyrin-based metal–organic frameworks (MOFs) as photocatalysts. The determination coefficient (R2) for both training and test sets was… read more here.
Keywords: based mofs; porphyrin based; model; qspr model ... See more keywords
Identification of a Family of Glycoside Derivatives Biologically Active against Acinetobacter baumannii and Other MDR Bacteria Using a QSPR Model
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DOI: 10.3390/ph16020250
Abstract: As the rate of discovery of new antibacterial compounds for multidrug-resistant bacteria is declining, there is an urge for the search for molecules that could revert this tendency. Acinetobacter baumannii has emerged as a highly… read more here.
Keywords: identification family; acinetobacter baumannii; model; qspr model ... See more keywords