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Update of PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence
To facilitate more extensive studies of protein and peptides, numerous improvements and updates have been made to PROFEAT, including adding new functions for computing descriptors of protein–protein and protein–small molecule interactions, segment descriptors for local properties of protein sequences, topological descriptor for peptide sequences and small molecule structures.
Variation of photosynthetic capacity with leaf age in an alpine orchid, Cypripedium flavum
The age-dependent variation in photosynthetic capacity could be linked to the changes in biochemical efficiency, leaf nitrogen content and CO2 diffusion limitation.
Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods.
  • C. Yap, Z. Li, Y. Chen
  • Computer Science, Medicine
    Journal of molecular graphics & modelling
  • 1 March 2006
Three statistical learning methods, general regression neural network (GRNN), support vector regression (SVR) and k-nearest neighbour (KNN) were explored for modeling the CL(tot) of all of the 503 known compounds and suggest that GRNN, SVR, and their consensus model are potentially useful for predicting QSPkR properties of drug leads.
Prediction of genotoxicity of chemical compounds by statistical learning methods.
  • H. Li, C. Ung, +4 authors Y. Chen
  • Computer Science, Medicine
    Chemical research in toxicology
  • 4 June 2005
This study suggests that statistical learning methods, particularly SVM, k-NN, and PNN, are useful for facilitating the prediction of genotoxic potential of a diverse set of molecules.
Prediction of compounds with specific pharmacodynamic, pharmacokinetic or toxicological property by statistical learning methods.
  • C. Yap, Y Xue, +6 authors Y. Chen
  • Chemistry, Medicine
    Mini reviews in medicinal chemistry
  • 31 March 2006
The strategies, current progresses and underlying difficulties in using statistical learning methods for predicting compounds of specific property are reviewed and algorithms commonly used for representing structural and physicochemical properties of compounds are evaluated.
Application of support vector machines to in silico prediction of cytochrome p450 enzyme substrates and inhibitors.
  • C. Yap, Y Xue, Z. Li, Y. Chen
  • Biology, Medicine
    Current topics in medicinal chemistry
  • 31 July 2006
This article introduces the methodology, evaluates the performance, and discusses the underlying difficulties and future prospects of the application of support vector machines to in silico prediction of cytochrome P450 substrates and inhibitors.
Gas exchanges of three co-occurring species of Cypripedium in a scrubland in the Hengduan Mountains
Investigation of gas exchanges and related leaf traits of three co-occurring species of genus Cypripedium found biochemical limitation had a dominant role in Pmax differences among the considered species.
[Moiré topography in school screening for scoliosis].