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Structure of Talk Product formulation and process

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Presentation on theme: "Structure of Talk Product formulation and process"— Presentation transcript:

1 Applications of Case-Based Reasoning in Product Formulation Ray Rowe AstraZeneca & PROFITS

2 Structure of Talk Product formulation and process
Rule-based applications Benefits and issues Advantages of Case-based Reasoning Case-based applications Benefits, issues, views, future

3 Product Formulation The production of novel or enhanced effects by the blending/mixing and processing of chemicals. Used by many industries to produce marketable products Increased need for innovation due to shortening life cycles Highly competitive environment

4 Formulation Tasks

5 Information Flows $ FORMULATION SPECIFICATION INGREDIENTS
COMMERCIAL FACTORS PRODUCTION FACTORS PAST FORMULATIONS MODELS y = (x) S N Cl ACTIVE INGREDIENT $

6 The Formulation Process
Market Demand Costs Ingredients Formulator Specification Product Processing Models Properties Market Demand Costs Ingredients Formulator Specification Product Processing Models Properties

7 Product Formulation Complex process carried out in a design space that is multidimensional in nature and extremely difficult to conceptualise. Specialised task requiring specific knowledge and often experience.

8 Artificial Intelligence in Product Formulation
Technologies relevant to Product Formulation: Rule-based reasoning formulation development Case-based reasoning Neural networks formulation modelling Genetic algorithms - formulation optimisation Neurofuzzy logic - formulation rules

9 Growth of Applications of Rule-Based Systems for Product Formulation
Year Total publications Pharmaceutical publications 1985 – 1991 – 1995 –

10 Applications of Rule -Based Systems for Pharmaceutical Formulation
Tablets ICI/Zeneca/AstraZeneca (1988 et sequens) - Cadila Labs (1992) - Japanese consortium (1998) - Pfizer (2000) Capsules - Pfizer (1989) - Capsugel (1995) - Sanofi (1996) - Japanese consortium (1998) Injections - University of Heidelberg (1991 et sequens) - Zeneca/AstraZeneca (1994 et sequens)

11 Applications of Rule-Based Systems for Textiles
WOOLY --Wool dyeing - Sandoz (1988) OPTIMIST - Dyeing - BASF (1988) PREMATIC - Cotton bleaching - Ciba (1989) BAFAREX - Cotton dyeing - BASF (1992) TEXPERTO - Textile finishing - Sandoz (1992) SMART MATCH - Textile colouring - DataColor (1994) BATEM - Dyeing - BRITE-EURAM (1997) COLPOCA - Colour matching - Ciba Specialty Chemicals (2001)

12 Applications of Rule -Based Systems for Product Formulation
Aluminium alloys - Alcoa (1985) Lubricating oils – Shell Research ( ) Agrochemicals – Rohm & Haas (1986) - Schering Agrochemicals (1987) Propellants - US Army (1988) Suncare products - Boots Company (1991) Vinyl pipes – Plasticos-Petroquimica CA (1995) plus Paints, Food relishes, Soft drinks, Inks, Coatings and Adhesives

13 Benefits Accrued from using Rule-Based Systems for Product Formulation
Knowledge protection and availability Consistency in decision making Training aid Increase speed of development Cost savings Freeing experts Improved communication

14 Business Impact from using Rule-Based Systems for Product Formulation
Enhancement of product quality and performance Development of new products and processes Shorter time to market Improved responses to customer demands Improved processing efficiency Cost savings Improved competitive edge

15 Benefits Accrued from using Rule –Based Systems for Product Formulation
BOOTS Company (1991) Annual cost savings of £200K Cadila Laboratories (1992) 35% reduction in time to develop new generic tablet

16 Issues with Rule-Based Systems in Product Formulation
Lack of understanding of domain Domains often specialised and small Complexity of knowledge acquisition Evolution with time and practice Time and cost of development

17 CBR- The Advantages Solutions are quickly proposed
Derivation from scratch is avoided Domains do not need to be completely understood Cases useful for open-ended or ill-defined concepts Case knowledge may be easy to acquire Decrease in time and cost of development

18 Growth in Case-Based Reasoning in Product Formulation
Year No of Application publications Review Coloured plastics, Agrochemicals Tablets Foamed rubber, Lubricating oil Tablets Tyres, Tablets Tablets, Tyres, Coloured plastics

19 Applications of Case-Based Reasoning Expert Systems
Field Product Developer Pharmaceuticals Tablets AstraZeneca/Robert Gordon University (UK) Agrochemicals Water dispersible Zeneca Agrochemicals/University of granules Greenwich (UK) Oil Lubricating oil Jiangsu Institute/Lanzhou Refinery (China) Plastics Coloured plastics General Electric (USA) Rubber Foamed rubber LISA/INTEREP(France) Tyres Pirelli/University of Milan (Italy)

20 Applications of Case-Based Systems for Agrochemicals Zeneca Agrochemicals /University of Greenwich (1997) Case-based system for formulating water dispersible granules Prototype using CBR-Works Case base of formulations of carbendazin Retrieval only, no adaptation Formulations consistent with expert opinion

21 Applications of Case-Based Systems for Rubber LISA/INTEREP (1999)
Case-based system for formulating closed- cell rubber structures (ACCELERE) Domain complex with no model or strong theory Case base of over 1000 designs Retrieval only, no adaptation Formulations listed in order for browsing

22 Applications of Case-Based Systems for Rubber Pirelli/University of Milan (2000)
Case-based system for formulating tyre treads (P-Race) Incorporates knowledge of race circuits, road conditions, tyre designs, raw materials etc. etc. Retrieval and adaptation Formulations in general agreement with those adopted by experts Used in championships – Sports Racing World Cup, American Le Mans Series

23 Applications of Case-Based Systems for Pharmaceuticals AstraZeneca/Robert Gordon University (1998)
Case-based system for formulation tablets Prototype using ReCall, research project Retrieval and adaptation Retrieval and adaptation knowledge automatically learned from cases in case base Case base small with evolutionary information Formulations in close agreement with expert opinion and rule–based expert system

24 Applications of Case-Based Systems for Coloured Plastics General Electric Company (1997)
Case-based system for formulating colours for plastics (Form Tool) Colour matches the customer’s standard colour Selects formulation for specific plastic Introduced 1995 with case-base of 1700 formulations Now part of a web based e-commerce tool (color xpress) Over 5000 colour matches performed each year.

25 Applications of Case-Based Systems for Oils Jiangsu Institute/ Lanzhou Refinery (1999)
Case-based system for formulating diesel engine oil Part of a multi-task expert system Case base of many formulations Retrieval based on similarity functions Uses rule-based system when no cases retrieved Formulations consistent with expert opinion

26 Applications of Case-Based Systems for Oils Jiangsu Institute/ Lanzhou Refinery (1999)
System Formulator % w/w % w/w 100SN Base oil 200SN Base oil Residual Base oil Pour point depressant Tackifier Additive T Additive T Additive T

27 Benefits Accrued from using Case –Based Systems for Product Formulation
General Electric Company (2001) Increased speed and productivity $2.25 million savings per year Decreased cost of pigments $2.4 million savings per year Global colour consistency

28 Issues with Case-Based Systems in Product Formulation
Quality of case base small, poor, biased time-dependent philosophy The learning and refinement of essential retrieval and adaptation knowledge

29 Personal Views Product formulation an ideal domain for CBR (and RBR!!)
RBR software package (Formulogic) tried, tested and supported, No such package for CBR Formulators accept the concept of the CBR paradigm but appear more happy with the RBR approach Managers accept benefits of both but need to know relative costs and resources Need to get more fielded applications More research/development necessary


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