Current mathematical methods used in QSAR/QSPR studies
P Liu, W Long - International Journal of Molecular Sciences, 2009 - mdpi.com
This paper gives an overview of the mathematical methods currently used in quantitative
structure-activity/property relationship (QASR/QSPR) studies. Recently, the mathematical …
structure-activity/property relationship (QASR/QSPR) studies. Recently, the mathematical …
Genetic algorithms in chemometrics
This review covers the application of Genetic Algorithms (GAs) in Chemometrics. The first
applications of GAs in chemistry date back to the 1970s, and in the last decades, they have …
applications of GAs in chemistry date back to the 1970s, and in the last decades, they have …
Compilation of Secondary Metabolites from Bidens pilosa L
Bidens pilosa L. is a cosmopolitan annual herb, known for its traditional use in treating
various diseases and thus much studied for the biological activity of its extracts, fractions and …
various diseases and thus much studied for the biological activity of its extracts, fractions and …
Chemometric-assisted method development in hydrophilic interaction liquid chromatography: a review
With an enormous growth in the application of hydrophilic interaction liquid chromatography
(HILIC), there has also been significant progress in HILIC method development. HILIC is a …
(HILIC), there has also been significant progress in HILIC method development. HILIC is a …
Application of genetic algorithm-support vector machine (GA-SVM) for prediction of BK-channels activity
The support vector machine (SVM), which is a novel algorithm from the machine learning
community, was used to develop quantitative structure–activity relationship (QSAR) for BK …
community, was used to develop quantitative structure–activity relationship (QSAR) for BK …
[PDF][PDF] The Prediction of Kovats Retention Indices of Essential Oils at Gas Chromatography Using Genetic Algorithm-Multiple Linear Regression and Support Vector …
The Kovats retention indices of 340 essential oil compounds have been successfully
predicted based on their molecular descriptor using the Multiple Linear Regression (MLR) …
predicted based on their molecular descriptor using the Multiple Linear Regression (MLR) …
An insight into the estimation of drilling fluid density at HPHT condition using PSO-, ICA-, and GA-LSSVM strategies
SM Alizadeh, I Alruyemi, R Daneshfar… - Scientific Reports, 2021 - nature.com
The present study evaluates the drilling fluid density of oil fields at enhanced temperatures
and pressures. The main objective of this work is to introduce a set of modeling and …
and pressures. The main objective of this work is to introduce a set of modeling and …
[HTML][HTML] Accurate prediction of isothermal gas chromatographic Kováts retention indices
We describe a freely available web server called Retention Index Predictor
(RIpred)(https://ripred. ca) that rapidly and accurately predicts Gas Chromatographic Kováts …
(RIpred)(https://ripred. ca) that rapidly and accurately predicts Gas Chromatographic Kováts …
Application of Fuzzy Support Vector Regression to Predict the Kovats Retention Indices of Flavors and Fragrances
M Agustia, TR Noviandy, A Maulana… - 2022 International …, 2022 - ieeexplore.ieee.org
The Kovats retention index is the most robust retention parameter used to identify analytes in
gas chromatography. The Kovats retention index's value in similar compounds tends to have …
gas chromatography. The Kovats retention index's value in similar compounds tends to have …
QSAR study of VEGFR-2 inhibitors by using genetic algorithm-multiple linear regressions (GA-MLR) and genetic algorithm-support vector machine (GA-SVM): a …
M Nekoei, M Mohammadhosseini… - Medicinal Chemistry …, 2015 - Springer
The quantitative structure–activity relationship (QSAR) of the novel 4-aminopyrimidine-5-
carbaldehyde oxime derivatives as effective and selective inhibitors of potent VEGFR-2 was …
carbaldehyde oxime derivatives as effective and selective inhibitors of potent VEGFR-2 was …