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List of works by Yufeng J. Tseng

3Omics: a web-based systems biology tool for analysis, integration and visualization of human transcriptomic, proteomic and metabolomic data

scientific article

4D-fingerprint categorical QSAR models for skin sensitization based on the classification of local lymph node assay measures.

scientific article published on January 2007

4D-fingerprints, universal QSAR and QSPR descriptors

scientific article published in September 2004

A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.

scientific article

A matrix-induced ion suppression method to normalize concentration in urinary metabolomics studies using flow injection analysis electrospray ionization mass spectrometry.

scientific article published on 23 January 2015

A novel thromboxane receptor antagonist, nstpbp5185, inhibits platelet aggregation and thrombus formation in animal models

scientific article published on 12 May 2016

An efficient and robust fatty acid profiling method for plasma metabolomic studies by gas chromatography-mass spectrometry

scientific article published on 03 October 2015

An efficient computer-aided structural elucidation strategy for mixtures using an iterative dynamic programming algorithm

scientific article published on 15 November 2017

Batch Normalizer: a fast total abundance regression calibration method to simultaneously adjust batch and injection order effects in liquid chromatography/time-of-flight mass spectrometry-based metabolomics data and comparison with current calibrati

scientific article published on December 26, 2012

Categorical QSAR Models for skin sensitization based upon local lymph node assay classification measures part 2: 4D-fingerprint three-state and two-2-state logistic regression models

scientific article

Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors

scientific article published on 13 March 2008

Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis

scientific article

Chromaligner: a web server for chromatogram alignment.

scientific article published on 23 June 2010

Comparison of warfarin therapy clinical outcomes following implementation of an automated mobile phone-based critical laboratory value text alert system

scientific article

Computational chemistry and drug discovery: a call to action.

scientific article published on October 2012

CypRules: a rule-based P450 inhibition prediction server

scientific article published on 22 January 2015

Dependence of QSAR models on the selection of trial descriptor sets: a demonstration using nanotoxicity endpoints of decorated nanotubes.

scientific article

Development and application of a comparative fatty acid analysis method to investigate voriconazole-induced hepatotoxicity.

scientific article published on 20 August 2014

Different molecular enumeration influences in deep learning: an example using aqueous solubility

scientific article published on 05 June 2020

Directly monitor protein rearrangement on a nanosecond-to-millisecond time-scale.

scientific article published on 18 August 2017

Distribution-based classification method for baseline correction of metabolomic 1D proton nuclear magnetic resonance spectra

scientific article published on 28 December 2012

Effects of sarcosine and N, N-dimethylglycine on NMDA receptor-mediated excitatory field potentials.

scientific article published on 28 February 2017

Exploring possible mechanisms of action for the nanotoxicity and protein binding of decorated nanotubes: interpretation of physicochemical properties from optimal QSAR models

scientific article published on 19 July 2015

Fasting but not changes of plasma metabolome during oral glucose tolerance tests improves the diagnosis of severe coronary arterial stenosis

scientific article published on 2 January 2015

G.A.M.E.: GPU-accelerated mixture elucidator

scientific article published on 15 September 2017

Human Breathomics Database

scientific article published on 01 January 2020

In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage.

scientific article published in July 2010

Ion trace detection algorithm to extract pure ion chromatograms to improve untargeted peak detection quality for liquid chromatography/time-of-flight mass spectrometry-based metabolomics data.

scientific article

LeadOp+R: Structure-Based Lead Optimization With Synthetic Accessibility

scientific article published on 5 March 2018

LipidPedia: a comprehensive lipid knowledgebase.

scientific article published on 10 April 2018

Mass-Spectrometry-Based Serum Metabolomics of a C57BL/6J Mouse Model of High-Fat-Diet-Induced Non-alcoholic Fatty Liver Disease Development.

scientific article published on 27 August 2015

Membrane-interaction quantitative structure--activity relationship (MI-QSAR) analyses of skin penetration enhancers

scientific article published on 29 May 2008

Metabolomic Dynamic Analysis of Hypoxia in MDA-MB-231 and the Comparison with Inferred Metabolites from Transcriptomics Data.

scientific article

Metabolomic analysis of complex chinese remedies: examples of induced nephrotoxicity in the mouse from a series of remedies containing aristolochic Acid.

scientific article published on 31 March 2013

Metabolomic characterization of laborers exposed to welding fumes

scientific article published on 10 February 2012

Metabolomic characterization of rhubarb species by capillary electrophoresis and ultra-high-pressure liquid chromatography

scientific article published on 12 July 2013

Metabolomics of Children and Adolescents Exposed to Industrial Carcinogenic Pollutants

scientific article published on 24 April 2019

Metabolomics of ginger essential oil against alcoholic fatty liver in mice.

scientific article published on 12 November 2013

Mutagenicity in a Molecule: Identification of Core Structural Features of Mutagenicity Using a Scaffold Analysis

scientific article

NP-StructurePredictor: Prediction of Unknown Natural Products in Plant Mixtures

scientific article published on 13 November 2017

Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods.

scientific article

PgpRules: a decision tree based prediction server for P-glycoprotein substrates and inhibitors

scientific article published on 01 October 2019

Plasma metabolomic profiles predict near-term death among individuals with lower extremity peripheral arterial disease.

scientific article published on 17 May 2013

Predictive toxicology modeling: protocols for exploring hERG classification and Tetrahymena pyriformis end point predictions

scientific article published on 8 June 2012

QSAR analyses of skin penetration enhancers

scientific article published on 2 May 2007

Rule-Based Prediction Models of Cytochrome P450 Inhibition

scientific article

Rule-based classification models of molecular autofluorescence.

scientific article published on 9 February 2015

Screening and confirmation of 62 drugs of abuse and metabolites in urine by ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry

scientific article

Synthesis and inhibitory effects of novel pyrimido-pyrrolo-quinoxalinedione analogues targeting nucleoproteins of influenza A virus H1N1.

scientific article published on 13 August 2015

Teach-Discover-Treat (TDT): collaborative computational drug discovery for neglected diseases

scientific article

Template-based de novo design for type II kinase inhibitors and its extented application to acetylcholinesterase inhibitors.

scientific article

The metabolome profiling and pathway analysis in metabolic healthy and abnormal obesity

scientific article published on 24 April 2015

Trowaglerix Venom Polypeptides As a Novel Antithrombotic Agent by Targeting Immunoglobulin-Like Domains of Glycoprotein VI in Platelet

scientific article

True ion pick (TIPick): a denoising and peak picking algorithm to extract ion signals from liquid chromatography/mass spectrometry data.

scientific article

Using precursor ion scan of 184 with liquid chromatography-electrospray ionization-tandem mass spectrometry for concentration normalization in cellular lipidomic studies.

scientific article

Using the matrix-induced ion suppression method for concentration normalization in cellular metabolomics studies

scientific article published on 10 September 2015

Web Server for Peak Detection, Baseline Correction, and Alignment in Two-Dimensional Gas Chromatography Mass Spectrometry-Based Metabolomics Data

scientific article

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