Support vector

N. Christiani, J. Shawe-Taylor, Support Vector Machines. Cambridge University Press, Cambridge, UK, 2000. 

Jorissen RN, Gilson MK. Virtual screening of molecular databases using a Support Vector Machine. J Chem Inf Model 2005 45 549-61. 

Zernov VV, Balakin KV, Ivaschenko AA, Savchuk NP, Pletnev IV. Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions. J Chem Inf Comput Sci 2003 43(6) 2048-56. 

Cristianini N, Shawe-Taylor J. An introduction to support vector machines and other kernel-based learning methods. Cambridge, UK Cambridge University Press, 2000. 

PM-CSVM positive majority consensus support vector machines... 

Ivanciuc, O. Applications of support vector machines in chemistry. In Reviews in Computational Chemistry, Upkowitz,... 

Kumar, R., Kulkarni, A., Jayaraman, V. K., Kulkarni, B. D. Strucmre-activity relationships using locally linear embedding assisted by support vector and lazy learning regressors. Internet Electron. J. Mol. Des. 2004, 3,... 

A variety of other QSAR-type models for the prediction of plasma protein binding have also been published recently, including neural networks/support vector machines [64], 4-D fingerprints [65], and TOPS-MODE descriptors [66]. 

Ovidiu Ivanciuc, Applications of Support Vector Machines in Chemistry. 

Tobita, M., Nishikawa, T. and Nagashima, R. (2005) A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors. Bioorganic el Medicinal Chemistry Letters, 15, 2886-2890. 

Christianini, N., Shawe-Taylor, J. An Introduction to Support Vector Machines and Other Kernel-Based Learning Methods. Cambridge University Press, Cambridge, NY, 2000. Crawford, L. R., Morrison, J. D. Anal. Chem. 40, 1968, 1469-1474. Computer methods in analytical mass spectrometry. Empirical identification of molecular class. 

Meyer, D., Leisch, F., Homik, K. Neurocomputing 55, 2003, 169-186. The support vector machine under test. 

Steinwart, I., Christmann, A. Support Vector Machines. Springer, New York, 2008. 

Thissen, U., Pepers, M., Ustiin, B., Meissen, W. J., Buydens, L. C. M. Chemom. Intell. Lab. Syst. 73, 2004, 169-179. Comparing support vector machines to PLS for spectral regression applications. 

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