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List of works by Yizeng Liang

A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship

scientific article published on 20 May 2014

A perspective demonstration on the importance of variable selection in inverse calibration for complex analytical systems

scientific article published in November 2013

A strategy that iteratively retains informative variables for selecting optimal variable subset in multivariate calibration

scientific article published on 21 November 2013

An efficient method of wavelength interval selection based on random frog for multivariate spectral calibration.

scientific article published on 28 March 2013

Application of fast Fourier transform cross-correlation and mass spectrometry data for accurate alignment of chromatograms.

scientific article

Application of random forests to select premium quality vegetable oils by their fatty acid composition.

scientific article published on 11 August 2013

ChemoPy: freely available python package for computational biology and chemoinformatics.

scientific article

Correlation and prediction of partition coefficient using nonrandom two-liquid segment activity coefficient model for solvent system selection in counter-current chromatography separation

scientific article published on 20 May 2013

Designing of molecularly imprinted polymer-based potentiometric sensor for the determination of heparin.

scientific article

Detection and Identification of Extra Virgin Olive Oil Adulteration by GC-MS Combined with Chemometrics ⬇️

scientific article published on April 8, 2013

Effects of injection volume on chromatographic features and resolution in the process of counter-current chromatography ⬇️

scientific article published on December 22, 2012

Exploring metabolic syndrome serum profiling based on gas chromatography mass spectrometry and random forest models.

scientific article published on 8 April 2014

Exploring the relationship between 5'AMP-activated protein kinase and markers related to type 2 diabetes mellitus.

scientific article published on 22 March 2013

Ferrocenoyl Phenylalanine: A New Strategy Toward Supramolecular Hydrogels with Multistimuli Responsive Properties ⬇️

scientific article published on August 28, 2013

Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach ⬇️

scientific article published on April 5, 2013

Joint MS-based platforms for comprehensive comparison of rat plasma and serum metabolic profiling

scientific article

Large-scale prediction of human kinase-inhibitor interactions using protein sequences and molecular topological structures.

scientific article published on 10 July 2013

Morphological weighted penalized least squares for background correction.

scientific article published on 19 June 2013

Nonlinear alignment of chromatograms by means of moving window fast Fourier transfrom cross-correlation ⬇️

scientific article published on May 1, 2013

Prediction of retention indices for frequently reported compounds of plant essential oils using multiple linear regression, partial least squares, and support vector machine ⬇️

scientific article published on July 2, 2013

PyDPI: freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies

scientific article

Selective iteratively reweighted quantile regression for baseline correction.

scientific article published on 16 January 2014

Selective of informative metabolites using random forests based on model population analysis.

scientific article

Separation of nine compounds from Salvia plebeia R.Br. using two-step high-speed counter-current chromatography with different elution modes.

scientific article

Simultaneous determination of traces amounts of cadmium, zinc, and cobalt based on UV-Vis spectrometry combined with wavelength selection and partial least squares regression.

scientific article

Using nonrandom two-liquid model for solvent system selection in counter-current chromatography.

scientific article published on 8 June 2014

Using random forest to classify T-cell epitopes based on amino acid properties and molecular features.

scientific article published on 12 October 2013

Using random forest to classify linear B-cell epitopes based on amino acid properties and molecular features

scientific article published on 8 April 2014

pH-dependent coordination of Pb2+ to metallothionein2: structures and insight into lead detoxification

scientific article published on 21 February 2014

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