Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction
AR Katritzky, M Kuanar, S Slavov, CD Hall… - Chemical …, 2010 - ACS Publications
All properties of organic moleculessphysical, chemical, biological, and
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …
Predicting octane number using nuclear magnetic resonance spectroscopy and artificial neural networks
Machine learning algorithms are attracting significant interest for predicting complex
chemical phenomenon. In this work, a model to predict research octane number (RON) and …
chemical phenomenon. In this work, a model to predict research octane number (RON) and …
Chemometrics tools in QSAR/QSPR studies: A historical perspective
S Yousefinejad, B Hemmateenejad - Chemometrics and Intelligent …, 2015 - Elsevier
One of the most extended subfields of chemometrics, at least by considering the number of
publications and interested researchers, is QSAR/QSPR. During the time, various improved …
publications and interested researchers, is QSAR/QSPR. During the time, various improved …
Sooting tendencies of diesel fuels, jet fuels, and their surrogates in diffusion flames
Surrogates of transportation fuels are useful design tools for developing engines with
cleaner and more efficient combustion. It is important that information about the sooting …
cleaner and more efficient combustion. It is important that information about the sooting …
Predicting Fuel Ignition Quality Using 1H NMR Spectroscopy and Multiple Linear Regression
An improved model for the prediction of ignition quality of hydrocarbon fuels has been
developed using 1H nuclear magnetic resonance (NMR) spectroscopy and multiple linear …
developed using 1H nuclear magnetic resonance (NMR) spectroscopy and multiple linear …
Application of support vector machine (SVM) for prediction toxic activity of different data sets
CY Zhao, HX Zhang, XY Zhang, MC Liu, ZD Hu, BT Fan - Toxicology, 2006 - Elsevier
As a new method, support vector machine (SVM) were applied for prediction of toxicity of
different data sets compared with other two common methods, multiple linear regression …
different data sets compared with other two common methods, multiple linear regression …
A review of applications of NMR spectroscopy in the petroleum industry
JC Edwards - 2011 - asmedigitalcollection.asme.org
NUCLEAR MAGNETIC RESONANCE (NMR) SPECTROSCOPY HASbeen applied to
petroleum chemistry since the first days of its commercial existence. Petroleum companies …
petroleum chemistry since the first days of its commercial existence. Petroleum companies …
Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy
Asphaltenes are n-alkane insoluble compounds found in crude oils and heavy fuels (high
and non-boiling petroleum fractions). Asphaltene molecular structure has not been fully …
and non-boiling petroleum fractions). Asphaltene molecular structure has not been fully …
Prediction of size-fractionated airborne particle-bound metals using MLR, BP-ANN and SVM analyses
J Wang, H Ji, Q Wang, H Li, X Qian, F Li, M Yang - Chemosphere, 2017 - Elsevier
Size-fractionated heavy metal concentrations were observed in airborne particulate matter
(PM) samples collected from 2014 to 2015 (spanning all four seasons) from suburban …
(PM) samples collected from 2014 to 2015 (spanning all four seasons) from suburban …
Prediction of PM2. 5 concentration based on the similarity in air quality monitoring network
M Li, W Wang, Z Wang, Y Xue - Building and Environment, 2018 - Elsevier
Recently particulate matter pollution has becoming more and more serious in China and
plenty of equipment has been purchased to detect it in air quality monitoring network. But it …
plenty of equipment has been purchased to detect it in air quality monitoring network. But it …