Purdue Ontology for Pharmaceutical Engineering: Part I. Conceptual Framework

被引:37
作者
Hailemariam, Leaelaf [2 ]
Venkatasubramanian, Venkat [1 ]
机构
[1] Purdue Univ, Lab Intelligent Proc Syst, Sch Chem Engn, W Lafayette, IN 47907 USA
[2] Dow Chem Co USA, Midland, MI 48674 USA
关键词
Ontology; Pharmaceutical product development; Informatics; Pharmaceutical manufacturing; Cyberinfrastructure; PRODUCT DEVELOPMENT; LANGUAGE; ACCESS; SYSTEM;
D O I
10.1007/s12247-010-9081-3
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
Introduction In pharmaceutical drug development and manufacturing, the amount and complexity of information of different types, ranging from raw experimental data to lab reports to complex mathematical models that needs to be stored, accessed, validated, manipulated, managed, and used for decision making is staggering. The information is often in different formats, used in different computer tools, making smooth interaction between these tools difficult. A common, explicit, and platform-independent vocabulary that is both machine accessible and human usable is needed to streamline the flow of information and knowledge generation. Methods The Purdue Ontology for Pharmaceutical Engineering (POPE) was developed to address this informatics challenge. POPE models information and knowledge and includes models of phases, material properties, molecular structures, experiments, reactions, and unit operations. Conclusion In Part 1, we describe the conceptual framework of POPE and in Part 2 its applications.
引用
收藏
页码:88 / 99
页数:12
相关论文
共 44 条
[1]  
Angele J, 2003, LECT NOTES COMPUT SC, V2870, P913
[2]  
[Anonymous], OWL WEB ONTOLOGY LAN
[3]  
[Anonymous], 1992, APPL ORGANOMET CHEM
[4]  
Ansaldi S., 2006, Computer-Aided Design and Applications, V3, P99
[5]  
BAERTSCHI SW, 2005, DRUGS PHARM SCI, V153
[6]   A life-cycle approach for model reuse and exchange [J].
Batres, R ;
Aoyama, A ;
Naka, Y .
COMPUTERS & CHEMICAL ENGINEERING, 2002, 26 (4-5) :487-498
[7]  
Batres R, 1999, J CONC ENG, V7
[8]  
Bayer B, 2001, LPT200115 RWTH
[9]   Predicting biotransformation potential from molecular structure [J].
Borodina, Y ;
Sadym, A ;
Filimonov, D ;
Blinova, V ;
Dmitriev, A ;
Poroikov, V .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (05) :1636-1646
[10]   JCAMP-DX for electron magnetic resonance(EMR) [J].
Cammack, R ;
Fann, Y ;
Lancashire, RJ ;
Maher, JP ;
McIntyre, PS ;
Morse, R .
PURE AND APPLIED CHEMISTRY, 2006, 78 (03) :613-631