List of works - Chun Wei Yap

3D-QSAR Study on dihydro-1,3,5-triazines and their spiro derivatives as DHFR inhibitors by comparative molecular field analysis (CoMFA)

scientific article published on 16 March 2012

A clinical decision support tool to predict survival in cancer patients beyond 120 days after palliative chemotherapy

scientific article

A quantitative approach of using genetic algorithm in designing a probability scoring system of an adverse drug reaction assessment system.

scientific article published on 24 October 2007

A scoring model for predicting survival following primary tumour resection in stage IV colorectal cancer patients with unresectable metastasis.

scientific article published on 21 October 2015

An expanded, unified substrate recognition site map for mammalian cytochrome P450s: analysis of molecular interactions between 15 mammalian CYP450 isoforms and 868 substrates.

scientific article published in September 2011

An investigation of the bioactivation potential and metabolism profile of Zebrafish versus human

scientific article published on 29 May 2012

Anticancer activity of thymoquinone in breast cancer cells: possible involvement of PPAR-γ pathway.

scientific article published on 14 June 2011

Application of support vector machines to in silico prediction of cytochrome p450 enzyme substrates and inhibitors.

scientific article published on January 2006

Association of Nutritional Status with Physical Function and Disability in Community-Dwelling Older Adults: A Longitudinal Data Analysis

scientific article published on 12 February 2020

Automated systems to identify relevant documents in product risk management

scientific article

Clinical and demographic predictors for vitamin D deficiency in multiethnic Asian patients with chronic kidney disease

scientific article

Comparative evaluation of software for retention time alignment of gas chromatography/time-of-flight mass spectrometry-based metabonomic data.

scientific article

Consensus QSAR model for identifying novel H5N1 inhibitors ⬇️

scientific article published on July 21, 2012

Consensus model for identification of novel PI3K inhibitors in large chemical library

scientific article

Determination of the Potential of Drug Candidates to Cause Severe Skin Disorders Using Computational Modeling.

scientific article published on 11 March 2013

Development of a combined system for identification and classification of adverse drug reactions: Alerts Based on ADR Causality and Severity (ABACUS).

scientific article

Development of a scalable and extendable multi-dimensional health index to measure the health of individuals

scientific article published on 07 October 2020

Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents.

scientific article published in September 2004

Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods.

scientific article published in September 2005

Formulation development of transdermal dosage forms: quantitative structure-activity relationship model for predicting activities of terpenes that enhance drug penetration through human skin

scientific article published on 17 May 2007

HbA1c variability in type 2 diabetes is associated with the occurrence of new-onset albuminuria within three years.

scientific article published on 14 February 2017

Identification of active compounds from medicinal plant extracts using gas chromatography‐mass spectrometry and multivariate data analysis ⬇️

scientific article published on November 30, 2011

Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method.

scientific article

Interaction of Lapatinib with Cytochrome P450 3A5 ⬇️

scientific article published on April 17, 2012

Isorhamnetin inhibits proliferation and invasion and induces apoptosis through the modulation of peroxisome proliferator-activated receptor γ activation pathway in gastric cancer.

scientific article

Mixed learning algorithms and features ensemble in hepatotoxicity prediction.

scientific article published on 6 September 2011

PaDEL‐DDPredictor: Open‐source software for PD‐PK‐T prediction ⬇️

scientific article published on March 15, 2013

PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints ⬇️

scientific article published on December 17, 2010

Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry.

scientific article published in February 2009

Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists.

scientific article published on 26 March 2011

Pilot study on developing a decision support tool for guiding re-administration of chemotherapeutic agent after a serious adverse drug reaction

scientific article

Prediction of P-glycoprotein substrates by a support vector machine approach.

scientific article

Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods.

scientific article

Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

scientific article published on 23 February 2006

Prediction of factor Xa inhibitors by machine learning methods.

scientific article

Prediction of torsade-causing potential of drugs by support vector machine approach.

scientific article published on 19 February 2004

Predictors of anemia in a multi-ethnic chronic kidney disease population: a case-control study

scientific article published on 20 May 2015

Prevalence of frailty and its association with depressive symptoms among older adults in Singapore.

scientific article published on 16 January 2018

Pyrrolidinediones reduce the toxicity of thiazolidinediones and modify their anti-diabetic and anti-cancer properties

scientific article

QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.

scientific article published on 19 November 2012

QSAR and Predictors of Eye and Skin Effects.

scientific article published on 8 March 2013

QSAR classification of metabolic activation of chemicals into covalently reactive species

scientific article published on 28 February 2012

Quantitative Structure-Pharmacokinetic Relationships for drug distribution properties by using general regression neural network.

scientific article published in January 2005

Rational design of selective organoruthenium inhibitors of protein tyrosine phosphatase 1B

scientific article published on 02 November 2012

Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties.

scientific article

SVM model for virtual screening of Lck inhibitors

scientific article

Selective agonism of human pregnane X receptor by individual ginkgolides.

scientific article published on 5 March 2012

Sex differences in associations between multimorbidity and physical function domains among community-dwelling adults in Singapore.

scientific article published on 14 May 2018

Social isolation, loneliness and their relationships with depressive symptoms: A population-based study

scientific article

Surface tension and wettability in transdermal delivery: a study on the in-vitro permeation of haloperidol with cyclodextrin across human epidermis

TRMP: a database of therapeutically relevant multiple pathways.

scientific article published in April 2004

Therapeutic targets: progress of their exploration and investigation of their characteristics.

scientific article

List of works by Chun Wei Yap

3D-QSAR Study on dihydro-1,3,5-triazines and their spiro derivatives as DHFR inhibitors by comparative molecular field analysis (CoMFA)

A clinical decision support tool to predict survival in cancer patients beyond 120 days after palliative chemotherapy

A quantitative approach of using genetic algorithm in designing a probability scoring system of an adverse drug reaction assessment system.

A scoring model for predicting survival following primary tumour resection in stage IV colorectal cancer patients with unresectable metastasis.

An expanded, unified substrate recognition site map for mammalian cytochrome P450s: analysis of molecular interactions between 15 mammalian CYP450 isoforms and 868 substrates.

An investigation of the bioactivation potential and metabolism profile of Zebrafish versus human

Anticancer activity of thymoquinone in breast cancer cells: possible involvement of PPAR-γ pathway.

Application of support vector machines to in silico prediction of cytochrome p450 enzyme substrates and inhibitors.

Association of Nutritional Status with Physical Function and Disability in Community-Dwelling Older Adults: A Longitudinal Data Analysis

Automated systems to identify relevant documents in product risk management

Clinical and demographic predictors for vitamin D deficiency in multiethnic Asian patients with chronic kidney disease

Comparative evaluation of software for retention time alignment of gas chromatography/time-of-flight mass spectrometry-based metabonomic data.

Consensus QSAR model for identifying novel H5N1 inhibitors ⬇️

Consensus model for identification of novel PI3K inhibitors in large chemical library

Determination of the Potential of Drug Candidates to Cause Severe Skin Disorders Using Computational Modeling.

Development of a combined system for identification and classification of adverse drug reactions: Alerts Based on ADR Causality and Severity (ABACUS).

Development of a scalable and extendable multi-dimensional health index to measure the health of individuals

Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents.

Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods.

Formulation development of transdermal dosage forms: quantitative structure-activity relationship model for predicting activities of terpenes that enhance drug penetration through human skin

HbA1c variability in type 2 diabetes is associated with the occurrence of new-onset albuminuria within three years.

Identification of active compounds from medicinal plant extracts using gas chromatography‐mass spectrometry and multivariate data analysis ⬇️

Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method.

Interaction of Lapatinib with Cytochrome P450 3A5 ⬇️

Isorhamnetin inhibits proliferation and invasion and induces apoptosis through the modulation of peroxisome proliferator-activated receptor γ activation pathway in gastric cancer.

Mixed learning algorithms and features ensemble in hepatotoxicity prediction.

PaDEL‐DDPredictor: Open‐source software for PD‐PK‐T prediction ⬇️

PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints ⬇️

Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry.

Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists.

Pilot study on developing a decision support tool for guiding re-administration of chemotherapeutic agent after a serious adverse drug reaction

Prediction of P-glycoprotein substrates by a support vector machine approach.

Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods.

Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Prediction of factor Xa inhibitors by machine learning methods.

Prediction of torsade-causing potential of drugs by support vector machine approach.

Predictors of anemia in a multi-ethnic chronic kidney disease population: a case-control study

Prevalence of frailty and its association with depressive symptoms among older adults in Singapore.

Pyrrolidinediones reduce the toxicity of thiazolidinediones and modify their anti-diabetic and anti-cancer properties

QSAR Modeling is not "Push a Button and Find a Correlation": A Case Study of Toxicity of (Benzo-)triazoles on Algae.

QSAR and Predictors of Eye and Skin Effects.

QSAR classification of metabolic activation of chemicals into covalently reactive species

Quantitative Structure-Pharmacokinetic Relationships for drug distribution properties by using general regression neural network.

Rational design of selective organoruthenium inhibitors of protein tyrosine phosphatase 1B

Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties.

SVM model for virtual screening of Lck inhibitors

Selective agonism of human pregnane X receptor by individual ginkgolides.

Sex differences in associations between multimorbidity and physical function domains among community-dwelling adults in Singapore.

Social isolation, loneliness and their relationships with depressive symptoms: A population-based study

Surface tension and wettability in transdermal delivery: a study on the in-vitro permeation of haloperidol with cyclodextrin across human epidermis

TRMP: a database of therapeutically relevant multiple pathways.

Therapeutic targets: progress of their exploration and investigation of their characteristics.