Versatile in silico modelling of microplastics adsorption capacity in aqueous environment based on molecular descriptor and machine learning
T Zhu, C Tao, H Cheng, H Cong - Science of The Total Environment, 2022 - Elsevier
To comprehensively evaluate the hazards of microplastics and their coexisting organic
pollutants, the sorption capacity of microplastics is a major issue that is quantified through …
pollutants, the sorption capacity of microplastics is a major issue that is quantified through …
Analysis of influencing factors on the gas separation performance of carbon molecular sieve membrane using machine learning technique
Y Pan, L He, Y Ren, W Wang, T Wang - Membranes, 2022 - mdpi.com
Gas separation performance of the carbon molecular sieve (CMS) membrane is influenced
by multiple factors including the microstructural characteristics of carbon and gas properties …
by multiple factors including the microstructural characteristics of carbon and gas properties …
Application of multivariate adaptive regression splines (MARSplines) for predicting hansen solubility parameters based on 1D and 2D molecular descriptors computed …
A new method of Hansen solubility parameters (HSPs) prediction was developed by
combining the multivariate adaptive regression splines (MARSplines) methodology with a …
combining the multivariate adaptive regression splines (MARSplines) methodology with a …
Random Forest‐Based Prediction of Enantioselectivity in Thiol Addition to Imines Catalyzed by Chiral Phosphoric Acids
X Yu, Z Zhang - ChemistrySelect, 2024 - Wiley Online Library
This paper, for the first time, reports calculating molecular descripts from the combinations of
catalysts and substrates, for enantioselectivity predictions in chiral phosphoric acid …
catalysts and substrates, for enantioselectivity predictions in chiral phosphoric acid …
[PDF][PDF] Research Article Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D …
A new method of Hansen solubility parameters (HSPs) prediction was developed by
combining the multivariate adaptive regression splines (MARSplines) methodology with a …
combining the multivariate adaptive regression splines (MARSplines) methodology with a …