Semantic Computing and Drug Discovery - A Preliminary Report

Author

Wang, Charles C. N. ; Hecht, David A. ; Sheu, Phillip C-Y ; Tsai, Jeffrey J. P.

Author_Institution

Dept. of Bioinf., Asia Univ., Taichung, Taiwan

fYear

2013

fDate

16-18 Sept. 2013

Firstpage

453

Lastpage

458

Abstract

Computer-aided drug design methodologies have proven to be very effective, greatly enhancing the efficiency of drug discovery and development processes. In this paper we describe how to integrate complex drug discovery problems and computational solutions via a semantic interface. In particular we describe a Structured Natural Language approach to chemical similarity searches, quantitative structure activity relationship (QSAR) modeling and in silico protein-ligand docking.

Keywords

drugs; information retrieval; medical computing; natural language processing; proteins; QSAR modeling; chemical similarity searches; complex drug discovery problems; computational solutions; computer-aided drug design methodologies; development processes; protein-ligand docking; quantitative structure activity relationship modeling; semantic computing; semantic interface; structured natural language approach; Biological system modeling; Compounds; Computational modeling; Drugs; Proteins; Semantics; drug discovery; protein-ligand docking; quantitative structure-activity relationship (QSAR); semantic analytics;

fLanguage

English

Publisher

ieee

Conference_Titel

Semantic Computing (ICSC), 2013 IEEE Seventh International Conference on

Conference_Location

Irvine, CA

Type

conf

DOI

10.1109/ICSC.2013.86

Filename

6693561