Publications

 

 

Publications

Articles

  1. Koh Y, Yap CW and Li SC* (2008). A quantitative approach of using genetic algorithm in designing a probability scoring system of an adverse drug reaction assessment system. International Journal of Medical Informatics 77 (6): 421-430. [Pubmed]

  2. Kang LF, Yap CW, Lim PFC, Chen YZ, Ho PCL, Chan YW, Wong GP and Chan SY* (2007). Formulation development of transdermal dosage forms: Quantitative structure-activity relationship model for predicting human skin penetration enhancement by terpenes. Journal of Controlled Release 120 (3): 211-219. [Pubmed]

  3. Lin HH, Han LY, Yap CW, Xue Y, Liu XH, Zhu F and Chen YZ* (2007). Prediction of factor Xa inhibitors by machine learning methods. Journal of Molecular Graphics and Modelling 26 (2): 505-518. [Pubmed]

  4. Li ZR, Han LY, Xue Y, Yap CW, Li H, Jiang L and Chen YZ* (2007). MODEL - Molecular Descriptor Lab: A web-based server for computing structural and physicochemical features of compounds. Biotechnology and Bioengineering 97 (2): 389-396. [Pubmed]

  5. Ung CY, Li H, Yap CW and Chen YZ* (2007). In silico prediction of pregnane X receptor activators by machine learning approaches. Molecular Pharmacology 71 (1): 158-168. [Pubmed]

  6. Xue Y, Li H, Ung CY, Yap CW and Chen YZ* (2006). Classification of a diverse set of Tetrahymena Pyriformis toxicity chemical compounds from molecular descriptors by statistical learning methods. Chemical Research in Toxicology 19 (8): 1030-1039. [Pubmed]

  7. Li H, Ung CY, Yap CW, Xue Y, Li ZR and Chen YZ* (2006). Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of Molecular Graphics and Modelling 25 (3): 313-323. [Pubmed]

  8. Yap CW, Li ZR and Chen YZ* (2006). Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods. Journal of Molecular Graphics and Modelling 24 (5): 383-395. [Pubmed]

  9. Li H, Yap CW, Ung CY, Xue Y, Cao ZW and Chen YZ* (2005). Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and non-penetrating agents by statistical learning methods. Journal of Chemical Information and Modeling 45 (5): 1376-1384. [Pubmed]

  10. Yap CW and Chen YZ* (2005). Prediction of cytochrome P450 3A4, 2D6, and 2C9 inhibitors and substrates by using support vector machines. Journal of Chemical Information and Modeling 45 (4): 982-992. [Pubmed]

  11. Li H, Ung CY, Yap CW, Xue Y, Li ZR, Cao ZW and Chen YZ* (2005). Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical Research in Toxicology 18 (6): 1071-1080. [Pubmed]

  12. Yap CW and Chen YZ* (2005). Quantitative structure-pharmacokinetic relationships for drug distribution properties by using general regression neural network. Journal of Pharmaceutical Sciences 94 (1): 153-168. [Pubmed]

  13. Xue Y, Li ZR, Yap CW, Sun LZ, Chen X and Chen YZ* (2004). Effect of molecular descriptor feature selection in support vector machine classification of pharmacokinetic and toxicological properties of chemical agents. Journal of Chemical Information and Computer Sciences 44 (5): 1630-1638. [Pubmed]

  14. Xue Y, Yap CW, Sun LZ, Cao ZW, Wang JF and Chen YZ* (2004). Prediction of p-glycoprotein substrates by a support vector machine approach. Journal of Chemical Information and Computer Sciences 44 (4): 1497-1505. [Pubmed]

  15. Zheng CJ, Zhou H, Xie B, Han LY, Yap CW and Chen YZ* (2004). TRMP: A database of therapeutically relevant multiple-pathways. Bioinformatics 20: 2236-2241. [Pubmed]

  16. Yap CW, Cai CZ, Xue Y and Chen YZ* (2004). Prediction of torsade-causing potential of drugs by support vector machine approach. Toxicological Sciences 79 (1): 170-177. [Pubmed]

  17. Ji ZL, Han LY, Yap CW, Sun LZ, Chen X and Chen YZ* (2003). Drug Adverse Reaction Target database (DART) : Proteins related to adverse drug reactions. Drug Safety 26 (10): 685-690. [Pubmed]

 

Reviews

  1. Li H, Yap CW, Ung CY, Xue Y, Li ZR, Han LY, Lin HH and Chen YZ* (2007). Machine learning approaches for predicting compounds that interact with therapeutic and ADMET related proteins. Journal of Pharmaceutical Sciences 96 (11): 2838-2860. [Pubmed]

  2. Chen X, Li H, Yap CW, Ung CY, Jiang L, Cao ZW, Li XY and Chen YZ* (2007). Computer prediction of cardiovascular and hematological agents by statistical learning methods. Cardiovascular & Hematological Agents in Medicinal Chemistry 5 (1): 11-19. [Pubmed]

  3. Yap CW, Li H, Ji ZL and Chen YZ* (2007). Regression methods for developing QSAR and QSPR models to predict compounds of specific pharmacodynamic, pharmacokinetic and toxicological properties. Mini Reviews in Medicinal Chemistry 7 (11): 1097-1107.

  4. Yap CW, Xue Y, Li ZR and Chen YZ* (2006). Application of support vector machines to in silico prediction of cytochrome P450 enzyme substrates and inhibitors. Current Topics in Medicinal Chemistry 6 (15): 1593-1607. [Pubmed]

  5. Zheng CJ, Han LY, Yap CW, Ji ZL, Cao ZW and Chen YZ* (2006). Therapeutic targets: Progress of their exploration and investigation of their characteristics. Pharmacological Reviews 58 (2): 259-279. [Pubmed]

  6. Zheng CJ, Han LY, Yap CW, Xie B and Chen YZ* (2006). Progress and problems in the exploration of therapeutic targets. Drug Discovery Today 11 (9): 412-420. [Pubmed]

  7. Yap CW, Xue Y, Li H, Li ZR, Ung CY, Han LY, Zheng CJ, Cao ZW and Chen YZ* (2006). Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods. Mini Reviews in Medicinal Chemistry 6 (4): 449-459. [Pubmed]

  8. Zheng CJ, Han LY, Yap CW, Xie B and Chen YZ* (2005). Trends in exploration of therapeutic targets. Drug News and Perspectives 18 (2): 109-127. [Pubmed]

  9. Li H, Yap CW, Xue Y, Li ZR, Ung CY, Han LY and Chen YZ* (2005). Statistical learning approach for predicting specific pharmacodynamic, pharmacokinetic or toxicological properties of pharmaceutical agents. Drug Development Research 66 (4): 245-259.

 

Books / book chapters

  1. Chen YZ*, Yap CW and Li H (2007). Current QSAR techniques for toxicology. Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals. Wiley-Interscience.

  2. Chen YZ*, Yap CW and Li H (2007). Protein crystallography, drug design and virtual screening. Technology Platforms for New Drug Discovery and Development. Higher Education Press.

  3. Yap CW (2006). Machine learning approaches in pharmacokinetic and toxicity prediction. PhD Thesis. National University of Singapore.