DESCRIPTIVE VERSUS MECHANISTIC MODELING ppt..pptx

DESCRIPTIVE VERSUS MECHANISTIC MODELING
Name: Pawan Dhamala
Sub: Computer Aided Drug Design

1. 11-02-2023 © R R INSTITUTIONS , BANGALORE 1 DESCRIPTIVE VERSUS MECHANISTIC MODELING RR COLLEGE OF PHARMACY COMPUTER AIDED DRUG DELIVERY SUBMITTED BY : SUBMITTED TO: PAVAN KUMAR PROF. Mr. K MAHALINGAM 2 nd SEM , M.PHARMACY DEPARTMENT OF PHARMACEUTICS

2. INDEX: INTRODUCTION OBJECTIVES CONCEPT DIFFERENCE BETWEEN DESCRIPTIVE AND MECHANISTIC MODELLING REFERENCES 11-02-2023 2

3. INTRODUCTION:- The new major challenge that the pharmaceutical industry is facing in the discovery and development of new drugs is to reduce costs and time needed from discovery to market, while at the same time raising s tandards of quality. If the pharmaceutical industry cannot find a solution to reduce both costs and time, then its whole business model will be jeopardized. The market will hardly be able, even in the near future, to afford excessively expensive drugs, regardless of their quality. In parallel to this growing challenge, technologies are also dramatically evolving, opening doors to opportunities never seen before. 11-02-2023 3

4. This standard way to discover new drugs is essentially by trail and error . The “new technologies” approach has given rise to new hope in that it has permitted many more attempts per unit time, increasing proportionally, however, also the number of errors. The developments of models in the pharmaceutical industry is certainly one of the significant break throughs proposed to face the challenges of cost, speed, and quality , somewhat imitating what happens in the aeronautics industry . The concepts, however, is that of adopting just another new technology, known as “modeling”. 11-02-2023 4

5. OBJECTIVES The use of models in the experimental cycle to reduce cost and time and improve quality. Without models , the final purpose of an experiment was one single drug or its behaviour, with the use of model , the objective of experiments will be the drug and the model at the same level. Improving the model will help understanding the experiments on successive drugs and improving the model’s ability will help to represent reality. 11-02-2023 5

6. CONCEPTS:- According to Breiman , there are two cultures in the use of statistical modelling to reach conclusions from data. The first culture, namely, the data modelling culture, assumes that the data are generated by a given stochastic data model. Where as the order, the algorithmic modelling culture, uses algorithmic models and treats the data mechanism as unknown. To understand the mechanism, the use of modelling concepts is essential. 11-02-2023 6

7. The purpose of the model is essentially for that of translation the known properties about the black box as well as some new hypotheses into a mathematical representation. In this way, a model is a simplifying representation of the data-generating mechanism under investigation. The identification of an appropriate model is often not easy and may require thorough investigation. 11-02-2023 7

8. DIFFERENCE:- 11-02-2023 8

9. DESCRIPTIVE MODEL MECHANISTIC MODEL 1. Descriptive model  or  empirical model , describes the overall behaviour of the system in question, without making any claim about the nature of the underlying mechanisms that produce this behaviour. 2. Descriptive model is a generic term for activities that create models by observation and experiment. 1. A  mechanistic model  is one where the basic elements of the model have a direc t correspondence to the underlying mechanisms in the system being modelled.   2. A mechanistic model assumes that a complex system can be understood by examining the workings of its individual parts and the manner in which they are coupled.  

10. DESCRIPTIVE MODEL MECHANISTIC MODEL 3. Descriptive model operates on a simple logic : the maker observes a close correspondence between the behaviour of the model and that of its referent.   4. The crafting of this correspondence can be 'empirical' in a wide variety of senses: it may entail a trial-and-error process, may be based on computational approximation to analytic formulae . 5.In Empirical Modelling, the process of construction is an incremental one in which the intermediate products are artefacts that evoke aspects of the intended (and sometimes emerging) referent through live interaction and observation. 3. Mechanistic models typically have a tangible , physical aspect. In that system components are real, solid and visible. 4. These models are considered as interpretrable or meaningful,but their inherent nature (nonlinearity ,high number of parameters) posess other challenges ,particularly once several sources of noise are also to be adequately modelled. 5. Mechanistic models are based on an understanding of the behaviour of a system's components. 11-02-2023 10

11. REFERENCES Computur applications in pharmaceutical research by john wiley and sons and sean ekins 2006. Internet source . www.slideshare.net. 11-02-2023 11

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