Toward intelligent decision support for pharmaceutical product development

Developing pharmaceutical product formulation in a timely manner and ensuring quality is a complex process that requires a systematic, science-based approach. Information from various categories, including properties of the drug substance and excipients, interactions between materials, unit operations, and equipment is gathered. Knowledge in different forms, including heuristics, decision trees, correlations, and first-principle models is applied. Decisions regarding processing routes, choice of excipients, and equipment sizing are made based on this information and knowledge. In this work, we report on the development of a software infrastructure to assist formulation scientists in managing the information, capturing the knowledge, and providing intelligent decision support for pharmaceutical product formulation.

[1]  R. C. Rowe.  Expert systems in solid dosage development , 1993 .

[2]  R C Rowe,et al.  Expert systems for parenteral development. , 1995, PDA journal of pharmaceutical science and technology.

[3]  K. V. Ramani,et al.  An Expert System for Drug Preformulation in a Pharmaceutical Company , 1992 .

[4]  Omolola Ogunyemi,et al.  Guideline Interchange Format 3.5 Technical Specification , 2004 .

[5]  Markus L. Noga,et al.  Optimizing Content Management System Pipelines , 2002, GPCE.

[6]  Fridrun Podczeck,et al.  The design of an expert system to aid the development of capsule formulations , 1998 .

[7]  Thomas R. Gruber,et al.  A translation approach to portable ontology specifications , 1993, Knowl. Acquis..

[8]  A. Dogac,et al.  Archetype-Based Semantic Interoperability of Web Service Messages in the Health Care Domain , 2005 .

[9]  Sanjay M. Mahajani,et al.  Dimerized isobutene : An alternative to MTBE , 2001 .

[10]  M. Russo,et al.  The development and validation of a capsule formulation knowledge-based system , 1996 .

[11]  C. Paszko,et al.  Considarations in selecting a laboratory information management system (LIMS) , 2000 .

[12]  M D Ricks.  The right formula. , 1975, Dental dimensions.

[13]  N. F. Noy,et al.  Ontology Development 101: A Guide to Creating Your First Ontology , 2001 .

[14]  William M. Farmer.  MKM: a new interdisciplinary field of research , 2004, SIGS.

[15]  Veit Schmelmer,et al.  Knowledge-Based Assistance for the Development of Drugs , 1997, IEEE Expert.

[16]  Lawrence X. Yu,et al.  Applications of process analytical technology to crystallization processes. , 2004, Advanced drug delivery reviews.

[17]  S. H. Fox.  The Theory and Practice of Industrial Pharmacy , 1970 .

[18]  Yun Peng,et al.  Generalization of a prototype intelligent hybrid system for hard gelatin capsule formulation development , 2002, AAPS PharmSciTech.

[19]  Jm Newton,et al.  An expert system fro the development of powder filled hard gelatin capsule formulations , 1995 .

[20]  Reinhold Haux,et al.  Das Galenische Entwicklungs-System Heidelberg : Systematische Rezepturentwicklung , 1994 .

[21]  Massimo Marchiori,et al.  The Mathematical Semantic Web , 2003, MKM.

[22]  Gintaras V. Reklaitis,et al.  Pharmaceutical informatics: A novel paradigm for pharmaceutical product development and manufacture , 2005 .

[23]  Hohne Ba,et al.  An expert system for the formulation of agricultural chemicals. , 1986 .

[24]  James H. Davenport,et al.  Mathematics on the (Semantic) NET , 2004, ESWS.

[25]  Milton Zall.  The nascent paperless laboratory , 2001 .