Title :
Determination of QSAR of aldose reductase inhibitors using an RBF network
Author :
Patra, J.C. ; Cheong, R.W.S. ; Meher, P.K. ; Chakraborty, G.
Author_Institution :
Sch. of Comput. Eng., Nanyang Technol. Univ., Singapore
Abstract :
Increasingly drug discovery is turning to in-silico methods to find potential enzyme or protein-protein inhibitors. The quantitative structure-activity relationship (QSAR) is commonly used to find potential inhibitors in the search for new drugs. In this paper we propose to use a radial basis function (RBF) network to determine the QSAR of aldose reductase inhibitors (ARIs). We find that the RBF network shows promising results of predicting the bioactivities of the ARIs.
Keywords :
drugs; pharmaceutical industry; proteins; radial basis function networks; QSAR; RBF network; aldose reductase inhibitor; drug discovery; enzyme inhibitor; in-silico methods; protein-protein inhibitor; radial basis function network; structure-activity relationship; Biochemistry; Diabetes; Drugs; Hydrogen; Information science; Inhibitors; Pharmaceutical technology; Radial basis function networks; Sugar; Turning; ARIs; QSAR; RBF networks;
Conference_Titel :
Systems, Man and Cybernetics, 2008. SMC 2008. IEEE International Conference on
Conference_Location :
Singapore
Print_ISBN :
978-1-4244-2383-5
Electronic_ISBN :
1062-922X
DOI :
10.1109/ICSMC.2008.4811535