swMATH ID: 30067
Software Authors: Xiao, Xuan; Min, Jian-Liang; Wang, Pu; Chou, Kuo-Chen
Description: iCDI-PseFpt: identify the channel-drug interaction in cellular networking with PseAAC and molecular fingerprints. Many crucial functions in life, such as heartbeat, sensory transduction and central nervous system response, are controlled by cell signalings via various ion channels. Therefore, ion channels have become an excellent drug target, and study of ion channel-drug interaction networks is an important topic for drug development. However, it is both time-consuming and costly to determine whether a drug and a protein ion channel are interacting with each other in a cellular network by means of experimental techniques. Although some computational methods were developed in this regard based on the knowledge of the 3D (three-dimensional) structure of protein, unfortunately their usage is quite limited because the 3D structures for most protein ion channels are still unknown. With the avalanche of protein sequences generated in the post-genomic age, it is highly desirable to develop the sequence-based computational method to address this problem. To take up the challenge, we developed a new predictor called extbf{iCDI-PseFpt}, in which the protein ion-channel sample is formulated by the PseAAC (pseudo amino acid composition) generated with the gray model theory, the drug compound by the 2D molecular fingerprint, and the operation engine is the fuzzy (K)-nearest neighbor algorithm. The overall success rate achieved by extbf{iCDI-PseFpt} via the jackknife cross-validation was 87.27
Homepage: https://www.sciencedirect.com/science/article/pii/S0022519313003871
Keywords: ion channels; gray model; molecular fingerprints; fuzzy (K)-nearest neighbor algorithm; pseudo amino acid composition
Related Software: iRSpot-PseDNC; iEzy-drug; iSNO-PseAAC; iRSpot-TNCPseAAC; iNuc-PhysChem; iNuc-PseKNC; iHSP-PseRAAAC; propy; iSNO-AAPair; AAindex; PseAAC-Builder; PseAAC; iLoc-Euk; iLoc-Hum; Cell-PLoc; LIBSVM; iLoc-Gpos; iLoc-Virus; KEGG; iNR-PhysChem
Cited in: 15 Documents

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