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ARTIFICIAL INTELLIGENCE
Mr. Omkar B. Tipugade
M – Pharm , Sem- II
( Department of Pharmaceutics)
Shree Santkrupa College Of Pharmacy, Ghogaon.
CONTENT:
 Introduction
 Artificial intelligence
 Artificial Neural Networks (ANNs)
 Fuzzy Logic
 Application of AI in pharmaceutical research
1. In Formulation:
Controlled release tablets
Immediate release tablets
2. In Product Development
INTRODUCTION :
 Artificial intelligence (AI) is the study of complex information which
processes problems that have their rools in some aspect of biological
information processing.
 The main aim of the subject is to identify useful information processing
problems and give an abstract account of how to solve them.
 Pharmaceutical drug manufacturing, from formulation development to
finished product, is very complex. This processincludes multivariate
interactions between raw materialsand process conditions. These
interactions are very importantfor the processability and quality of the
finished product.
 The use of artificial intelligence in pharmaceutical technology has
increased over the years, and the use of technology can save time and
money while providing a better understanding of the relationships
between different formulation and process parameters.
ARTIFICIAL INTELLIGENCE :
 Artificial Intelligence is defined as a field that deals with the design and
application of algorithms for analysis of, learning from and interpreting
data.
 AI encompasses many branches of statistical and machine learning,
pattern recognition, clustering, similarity-based methods, logics and
probability theory, as well as biologically motivated approaches, such as
neural networks and fuzzy modelig.
ARTIFICIAL NEURAL NETWORKS (ANNS)
 This network makes decision and draws conclusions even when
presented with incomplete information.
 Artificial neural networks (ANNs) technology models the pattern
recognition capabilities of the neural networks of the brain. Similarly, to a
single neuron in the brain, artificial neuron unit receives inputs from many
external sources, processes them, and makes decisions.
 ANN is composed of numerous processing units (PE), artificial neurons.
 The ANN mimics working of human brain and potentially fulfills the
cherished dream of scientists to develop machines that can think like
human beings.
 ANNs simulate learning and generalization behavior of the human brain
through data modeling and pattern recognition for complex
multidimensional problems.
 ANN works well for solving non linear problems of multivariate and multi
response systems such as space analysis in quantitative structure-
activity relationships in pharmacokinetic studies and structure prediction
in drug development.
Advantages of neural networks :
 Ability to deal with complex real world applications
 Ability to deal with incomplete and minor variations in the data (’noisy data‘)
 Ability to learn and adapt
 Ability to generalize
 High fault tolerance
 Rapid and efficient
 Flexible and easily maintained
FUZZY LOGIC :
 Drugs discovery & design is an intense, lengthy and consecutive process
that starts with the lead & target discovery followed by lead optimization
and pre-clinical in vitro & in vivo studies.
 Earlier, computational techniques are use in the field of computer science,
electrical engineering and electronics & communication engineering to
solve the problems. But, now day’s use of these techniques has changed
the scenario in drugs discovery. & design from the last two decades.
 These techniques include Artificial Neural Network, Fuzzy logic, Genetic
Algorithm, Genetic Programming, Evolutionary Programming,
Evolutionary Strategy etc.
 Fuzzy logic is the science of reasoning, thinking and inference that
recognizes and uses the real world phenomenon that everything is a
matter of degree.
 Fuzzy set is differing from traditional set theory i.e. fuzzy set has un sharp
boundaries. So the traditional set theory has either value 0 or 1 but in
fuzzy set the value is lie in between 0 ≤ μ ≥ 1 where μ is the membership
function.
 Fuzzy logic can be especially useful in describing target properties for
optimizations.
 The basic steps of the fuzzy set in the process modeling described as,
- Arrange the input and output dataset.
-Clustering the output set
-Map the fuzzy inputs to the output
-Identify the significant variables
-Use the rule base in inference
 Fuzzy logic can be especially useful in describing target properties for
optimizations.
 The basic steps of the fuzzy set in the process modeling described as,
- Arrange the input and output dataset.
-Clustering the output set
-Map the fuzzy inputs to the output
-Identify the significant variables
-Use the rule base in inference
APPLICATION OF AI IN PHARMACEUTICAL
RESEARCH:
In Formulation:
a)Controlled release tablets:
 The first work in the use of neural networks for modeling pharmaceutical
formulations was performed by Hussain and coworkers at the University of
Cincinnati (OH, USA).
 In various studies they modelled the in vitro release characteristics of a
range of drugs dispersed in matrices prepared from various hydrophilic
polymers.
 In general, the results were comparable with those generated through
the use of statistical analysis, but when predictions outside the limits of
the input data were attempted performance was poor. No attempt was
made to optimize the formulations using genetic algorithms, but the
results generated did lead the researchers to propose the concept of
computer aided formulation design based on neural networks.
 Neural networks used to predict the rate of drug release and to
undertake optimization using two- and three-dimensional response
surface analysis.
 Non-linear relationships were found between the release rate and the
amounts of the ingredients used in the formulation, suggesting the
possibility of the production of several formulations with the same release
profile
b) Immediate release tablets:
 The networks produced were used to prepare three-dimensional plots of
massing time, compression pressure and crushing strength, or drug
release, massing time and compression pressure in an attempt to
maximize tablet strength or to select the best lubricant.
 Comparable neural network models were generated and then optimized
using genetic algorithms.
 It was found that the optimum formulation depended on the constraints
applied to ingredient levels used in the formulation and the relative
importance placed on the output parameters.
In Product Development:
 The pharmaceutical product development process is a multivariate optimization
problem. It involves the optimization of formulation and process variables.
 One of the most useful properties of artificial neural networks is their ability to
generalize. These features make them suitable for solving problems in the area of
optimization of formulations in pharmaceutical product development.
 ANN models showed better fitting and predicting abilities in the development of
solid dosage forms in investigations of the effects of several factors (such as
formulation, compression parameters) on tablet properties (such as dissolution).
 ANNs provided a useful tool for the development of microemulsion-based drug-
delivery systems.
 ANNs were used to predict the phase behavior of quaternary microemulsion-
forming systems consisting of oil, water and two surfactants. ANN was also used
to simulate aerosol behavior, with a view to employing this type of methodology
in the evaluation and design of pulmonary drug-delivery systems
 For controlling and decision-making, fuzzy logic is a very powerful
problem-solving technique.
 It provides very useful rules from input data, in the form of “if… so…
then”. Fuzzy logic can be combined with neural networks as neuro fuzzy
logic. This combination provides more flexibility and capability to the
technique and provides powerful results
Thank you

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Artificial intelligence

  • 1. ARTIFICIAL INTELLIGENCE Mr. Omkar B. Tipugade M – Pharm , Sem- II ( Department of Pharmaceutics) Shree Santkrupa College Of Pharmacy, Ghogaon.
  • 2. CONTENT:  Introduction  Artificial intelligence  Artificial Neural Networks (ANNs)  Fuzzy Logic  Application of AI in pharmaceutical research 1. In Formulation: Controlled release tablets Immediate release tablets 2. In Product Development
  • 3. INTRODUCTION :  Artificial intelligence (AI) is the study of complex information which processes problems that have their rools in some aspect of biological information processing.  The main aim of the subject is to identify useful information processing problems and give an abstract account of how to solve them.  Pharmaceutical drug manufacturing, from formulation development to finished product, is very complex. This processincludes multivariate interactions between raw materialsand process conditions. These interactions are very importantfor the processability and quality of the finished product.  The use of artificial intelligence in pharmaceutical technology has increased over the years, and the use of technology can save time and money while providing a better understanding of the relationships between different formulation and process parameters.
  • 4. ARTIFICIAL INTELLIGENCE :  Artificial Intelligence is defined as a field that deals with the design and application of algorithms for analysis of, learning from and interpreting data.  AI encompasses many branches of statistical and machine learning, pattern recognition, clustering, similarity-based methods, logics and probability theory, as well as biologically motivated approaches, such as neural networks and fuzzy modelig.
  • 5. ARTIFICIAL NEURAL NETWORKS (ANNS)  This network makes decision and draws conclusions even when presented with incomplete information.  Artificial neural networks (ANNs) technology models the pattern recognition capabilities of the neural networks of the brain. Similarly, to a single neuron in the brain, artificial neuron unit receives inputs from many external sources, processes them, and makes decisions.  ANN is composed of numerous processing units (PE), artificial neurons.  The ANN mimics working of human brain and potentially fulfills the cherished dream of scientists to develop machines that can think like human beings.  ANNs simulate learning and generalization behavior of the human brain through data modeling and pattern recognition for complex multidimensional problems.  ANN works well for solving non linear problems of multivariate and multi response systems such as space analysis in quantitative structure- activity relationships in pharmacokinetic studies and structure prediction in drug development.
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  • 7. Advantages of neural networks :  Ability to deal with complex real world applications  Ability to deal with incomplete and minor variations in the data (’noisy data‘)  Ability to learn and adapt  Ability to generalize  High fault tolerance  Rapid and efficient  Flexible and easily maintained
  • 8. FUZZY LOGIC :  Drugs discovery & design is an intense, lengthy and consecutive process that starts with the lead & target discovery followed by lead optimization and pre-clinical in vitro & in vivo studies.  Earlier, computational techniques are use in the field of computer science, electrical engineering and electronics & communication engineering to solve the problems. But, now day’s use of these techniques has changed the scenario in drugs discovery. & design from the last two decades.  These techniques include Artificial Neural Network, Fuzzy logic, Genetic Algorithm, Genetic Programming, Evolutionary Programming, Evolutionary Strategy etc.  Fuzzy logic is the science of reasoning, thinking and inference that recognizes and uses the real world phenomenon that everything is a matter of degree.  Fuzzy set is differing from traditional set theory i.e. fuzzy set has un sharp boundaries. So the traditional set theory has either value 0 or 1 but in fuzzy set the value is lie in between 0 ≤ μ ≥ 1 where μ is the membership function.
  • 9.  Fuzzy logic can be especially useful in describing target properties for optimizations.  The basic steps of the fuzzy set in the process modeling described as, - Arrange the input and output dataset. -Clustering the output set -Map the fuzzy inputs to the output -Identify the significant variables -Use the rule base in inference
  • 10.  Fuzzy logic can be especially useful in describing target properties for optimizations.  The basic steps of the fuzzy set in the process modeling described as, - Arrange the input and output dataset. -Clustering the output set -Map the fuzzy inputs to the output -Identify the significant variables -Use the rule base in inference
  • 11. APPLICATION OF AI IN PHARMACEUTICAL RESEARCH: In Formulation: a)Controlled release tablets:  The first work in the use of neural networks for modeling pharmaceutical formulations was performed by Hussain and coworkers at the University of Cincinnati (OH, USA).  In various studies they modelled the in vitro release characteristics of a range of drugs dispersed in matrices prepared from various hydrophilic polymers.  In general, the results were comparable with those generated through the use of statistical analysis, but when predictions outside the limits of the input data were attempted performance was poor. No attempt was made to optimize the formulations using genetic algorithms, but the results generated did lead the researchers to propose the concept of computer aided formulation design based on neural networks.
  • 12.  Neural networks used to predict the rate of drug release and to undertake optimization using two- and three-dimensional response surface analysis.  Non-linear relationships were found between the release rate and the amounts of the ingredients used in the formulation, suggesting the possibility of the production of several formulations with the same release profile b) Immediate release tablets:  The networks produced were used to prepare three-dimensional plots of massing time, compression pressure and crushing strength, or drug release, massing time and compression pressure in an attempt to maximize tablet strength or to select the best lubricant.  Comparable neural network models were generated and then optimized using genetic algorithms.  It was found that the optimum formulation depended on the constraints applied to ingredient levels used in the formulation and the relative importance placed on the output parameters.
  • 13. In Product Development:  The pharmaceutical product development process is a multivariate optimization problem. It involves the optimization of formulation and process variables.  One of the most useful properties of artificial neural networks is their ability to generalize. These features make them suitable for solving problems in the area of optimization of formulations in pharmaceutical product development.  ANN models showed better fitting and predicting abilities in the development of solid dosage forms in investigations of the effects of several factors (such as formulation, compression parameters) on tablet properties (such as dissolution).  ANNs provided a useful tool for the development of microemulsion-based drug- delivery systems.  ANNs were used to predict the phase behavior of quaternary microemulsion- forming systems consisting of oil, water and two surfactants. ANN was also used to simulate aerosol behavior, with a view to employing this type of methodology in the evaluation and design of pulmonary drug-delivery systems
  • 14.  For controlling and decision-making, fuzzy logic is a very powerful problem-solving technique.  It provides very useful rules from input data, in the form of “if… so… then”. Fuzzy logic can be combined with neural networks as neuro fuzzy logic. This combination provides more flexibility and capability to the technique and provides powerful results
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