COMPUTER AIDED DRUG DESIGNING

1. Presented by:
P.PRASATH
M.PHARM FIRST YEAR
DEPARTMENT OF PHARMACEUTICS
COLLEGE OF PHARMACY
MADRAS MEDICAL COLLEGE
CHENNAI 600-003.
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2. Contents:
 Artificial intelligence
General overview
Advantages
Disadvantages
Applications
 Robotics
 Computational fluid dynamics
 Pharmaceutical automation
 References
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3. Introduction to Artificial Intelligence
 According to the father of Artificial Intelligence, John McCarthy, it
is,“The science and engineering of making intelligent machines,
especially intelligent computer programs”.
 Also, intelligence distinguish us from everything in the world. As it
has the ability to understand, apply knowledge.
 Also, improve skills that played a significant role in our evolution.
We can define AI as the area of computer science.
 Further, they deal with the ways in which computers can be made.
As they made to perform cognitive functions ascribed to humans.
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5. DEFINITION:
 Artificial Intelligence (AI) is a branch of Science which deals
with helping machines to find the solutions of complex problems in
a more human-like fashion.
 This generally involves borrowing characteristics from human
intelligence, and applying them as algorithms in a computer friendly
way.
 A more or less flexible or efficient approach can be taken depending
on the requirements
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6.  Artificial intelligence can be viewed from a variety of perspectives.
 From the perspective of intelligence artificial intelligence is making
machines "intelligent" -- acting as we would expect people to act.
 From a business perspective AI is a set of very powerful tools,
and methodologies for using those tools to solve business problems.
 From a programming perspective, AI includes the study of
symbolic programming, problem solving, and search.
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7.  Artificial Intelligence is a new electronic machine that stores large
amount of information and process it at very high speed.
 The computer is interrogated by a human via a teletype It passes if
the human cannot tell if there is a computer or human at the other
end.
 The ability to solve the problems.
 It is the science and engineering of making intelligent machines,
especially intelligent computer programs.
 It is related to the similar task of using computers to understand
human intelligence.
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8. Brief history of AI:
 1941- First electronic computer (technology finally available)
 1956- Term artificial intellience introduced.
 1960s- Checkers –playing program that was able to play with
opponents.
 1980s- Quality control system.
 2000- First sophisticated walking robot.
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9. Overview of AI
 Since the invention of computers or machines, their capability to
perform various tasks went on growing exponentially.
 Humans have developed the power of computer systems in terms of
their diverse working domains, their increasing speed, and reducing
size with respect to time.
 A branch of Computer Science named Artificial Intelligence pursues
creating the computers or machines as intelligent as human beings.
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10. Philosophy of AI
 While exploiting the power of the computer systems, the curiosity of
human, lead him to wonder, “Can a machine think and behave like
humans do?”
 Thus, the development of AI started with the intention of creating
similar intelligence in machines that we find and regard high in
humans.
Goals of AI
 To Create Expert Systems.
 To Implement Human Intelligence in Machines.
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11. What Contributes to AI?11

12. Programming Without and With AI12
Programming Without AI Programming With AI
A computer program without AI can
answer the specific questions it is meant
to solve.
A computer program with AI can answer
the generic questions it is meant to
solve.
Modification in the program leads to
change in its structure.
AI programs can absorb new
modifications by putting highly
independent pieces of information
together. Hence you can modify even a
minute piece of information of program
without affecting its structure.
Modification is not quick and easy. It
may lead to affecting the program
adversely.
Quick and Easy program modification.

13. What is AI Technique?
 In the real world, the knowledge has some unwelcomed properties:
 Its volume is huge, next to unimaginable.
 It is not well-organized or well-formatted.
 It keeps changing constantly.
 AI Technique is a manner to organize and use the knowledge
efficiently in such a way that:
 It should be perceivable by the people who provide it.
 It should be easily modifiable to correct errors.
 It should be useful in many situations though it is incomplete or
inaccurate.
 AI techniques elevate the speed of execution of the complex program
it is equipped with.
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15. Advantages of AI
a. Error Reduction
 We use artificial intelligence in most of the cases. As this helps us in
reducing the risk.
 Also, increases the chance of reaching accuracy with the greater
degree of precision.
b. Difficult Exploration
 In mining, we use artificial intelligence and science of robotics.
Also, other fuel exploration processes.
 Moreover, we use complex machines for exploring the ocean.
Hence, overcoming the ocean limitation.
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16. c. Daily Application
 As we know that computed methods and learning have become
commonplace in daily life.
 Financial institutions and banking institutions are widely using AI.
That is to organize and manage data.
 Also, AI is used in the detection of fraud users in a smart card based
system.
d. Digital Assistants
 “Avatars” are used by highly advanced organizations. That are
digital assistants.
 Also, they can interact with the users. Hence. They are saving
human needs of resources.
 As we can say that the emotions are associated with mood. That
they can cloud judgment and affect human efficiency. Moreover,
completely ruled out for machine intelligence.
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17. e. No breaks
 Machines do not require frequent breaks and refreshments for
humans. As machines are programmed for long hours.
 Also, they can continuously perform without getting bored.
f. Increase Work Efficiency
 For a particular repetitive task, AI-powered machines are great with
amazing efficiency.
 Best is they remove human errors from their tasks to achieve
accurate results.
g. Reduce cost of training and operation
 Deep Learning and neural networks algorithms used in AI to learn
new things like humans do.
 Also, this way they eliminate the need to write new code every
time.
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18. Risks of Artificial Intelligence
a. High Cost
 Its creation requires huge costs as they are very complex machines.
Also, repair and maintenance require huge costs.
b. No Replicating Humans
 As intelligence is believed to be a gift of nature. An ethical argument
continues, whether human intelligence is to be replicated or not.
c. Lesser Jobs
 As we are aware that machines do routine and repeatable tasks much
better than humans.
 Moreover, machines are used of instead of humans. As to increase
their profitability in businesses.
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19. d. Lack of Personal Connections
 We can’t rely too much on these machines for educational
oversights. That hurt learners more than help.
e. Addiction
 As we rely on machines to make everyday tasks more efficient we
use machines.
f. Efficient Decision Making
 As we know computers are getting smarter every day.
 Also, they are demonstrating not only an ability to learn but to teach
other computers.
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20. Applications of AI
AI has been dominant in various fields such as:
Gaming
 AI plays crucial role in strategic games such as chess, poker, tic-tac-
toe, etc., where machine can think of large number of possible
positions based on heuristic knowledge.
Natural Language Processing
 It is possible to interact with the computer that understands natural
language spoken by humans.
Expert Systems
 There are some applications which integrate machine, software, and
special information to impart reasoning and advising. They provide
explanation and advice to the users.
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21. Vision Systems
 These systems understand, interpret, and comprehend visual input
on the computer.
For example,
 A spying aeroplane takes photographs which are used to figure out
spatial information or map of the areas.
 Doctors use clinical expert system to diagnose the patient.
 Police use computer software that can recognize the face of
criminal with the stored portrait made by forensic artist.
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22. Speech Recognition
 Some intelligent systems are capable of hearing and comprehending
the language in terms of sentences and their meanings while a
human talks to it.
 It can handle different accents, slang words, noise in the
background, change in human’s noise due to cold, etc.
Handwriting Recognition
 The handwriting recognition software reads the text written on paper
by a pen or on screen by a stylus. It can recognize the shapes of the
letters and convert it into editable text.
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23. Intelligent Robots
 Robots are able to perform the tasks given by a human.
 They have sensors to detect physical data from the real world such
as light, heat, temperature, movement, sound, bump, and pressure.
 They have efficient processors, multiple sensors and huge memory,
to exhibit intelligence.
 In addition, they are capable of learning from their mistakes and
they can adapt to the new environment.
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24. ROBOTICS
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25. ROBOTICS
 Robotics is a domain in artificial intelligence that deals with the
study of creating intelligent and efficient robots.
What are Robots?
 Robots are the artificial agents acting in real world environment.
Objective
 Robots are aimed at manipulating the objects by perceiving, picking,
moving, modifying the physical properties of object, destroying it,
or to have an effect thereby freeing manpower from doing repetitive
functions without getting bored, distracted, or exhausted.
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26. What is Robotics?
 Robotics is a branch of AI, which is composed of Electrical
Engineering, Mechanical Engineering, and Computer Science for
designing, construction, and application of robots.
Aspects of Robotics
 The robots have mechanical construction, form, or shape
designed to accomplish a particular task.
 They have electrical components which power and control the
machinery.
 They contain some level of computer program that determines
what, when and how a robot does something.
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27. Difference in Robot System and Other AI
Program
AI Programs Robots
They usually operate in computer-
stimulated worlds.
They operate in real physical world
The input to an AI program is in symbols
and rules.
Inputs to robots is analog signal in the
form of speech waveform or images
They need general purpose computers to
operate on.
They need special hardware with sensors
and effectors.
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28. Advantages
 They will probably be increasingly used in the field of medicine.
 A knowledge based expert system, which can cross-reference
symptoms and disease will greatly improve the accuracy of
diagnostics.
 Object recognition will also be a great aid to doctors.
 Along with images from x-ray machines, they will be able to get
preliminary analysis of those images.
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29.  This course will be possible only if people solve legal questions that
arise by giving power to a machine to control or influence the health
of a human.
Disadvantages
 Self-modifying, When combined with self-replicating, can lead to
dangereous, unexpected results, such as a new and frequently
mutating compuer virus.
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30. Robot Locomotion
 Locomotion is the mechanism that makes a robot capable of moving
in its environment. There are various types of locomotions:
 Legged
 Wheeled
 Combination of Legged and Wheeled Locomotion
 Tracked slip/skid
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31. Legged Locomotion
 This type of locomotion consumes more power while demonstrating
walk, jump, trot, hop, climb up or down, etc.
 It comes with the variety of one, two, four, and six legs. If a robot
has multiple legs then leg coordination is necessary for locomotion.
 If a robot has k legs, then the number of possible events N = (2k-1)!.
 In case of a two-legged robot (k=2), the number of possible events is
N = (2k-1)!= (2*2-1)! = 3!
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32.  Hence there are six possible different events:
 1. Lifting the Left leg
 2. Releasing the Left leg
 3. Lifting the Right leg
 4. Releasing the Right leg
 5. Lifting both the legs together
 6. Releasing both the legs together.
 In case of k=6 legs, there are 39916800 possible events.
 Hence the complexity of robots is directly proportional to the
number of legs.
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33. Wheeled Locomotion
 Standard wheel: Rotates around the wheel axle and around the
contact
 Castor wheel: Rotates around the wheel axle and the offset steering
joint
 Swedish 45° and Swedish 90° wheels: Omni-wheel, rotates
around the contact point, around the wheel axle, and around the
rollers.
 Ball or spherical wheel: Omnidirectional wheel, technically
difficult to implement.
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34. Slip/Skid Locomotion34
 In this type, the vehicles use tracks as in a tank. The robot is steered
by moving the tracks with different speeds in the same or opposite
direction.
 It offers stability because of large
contact area of track and ground.

35. Components of a Robot35
 Robots are constructed with the following:
 Power Supply: The robots are powered by batteries, solar power,
hydraulic, or pneumatic power sources.
 Actuators: They convert energy into movement.
 Electric motors (AC/DC): They are required for rotational
movement.
 Pneumatic Air Muscles: They contract almost 40% in air.

36.  Muscle Wires: They contract by 5% when electric current is passed
through them.
 Piezo Motors and Ultrasonic Motors: Best for industrial robots.
 Sensors: They provide knowledge of real time information on the
task environment.
 Robots are equipped with vision sensors to be to compute the depth
in the environment.
 A tactile sensor imitates the mechanical properties of touch
receptors of human fingertips.
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37. Applications of Robotics
 The robotics has been instrumental in the various domains such as:
 Industries: Robots are used for handling material, cutting, welding,
color coating,drilling, polishing, etc.
 Military: Autonomous robots can reach inaccessible and hazardous
zones during war.
 A robot named Daksh, developed by Defense Research and
Development Organization (DRDO), is in function to destroy life-
threatening objects safely.
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38.  Medicine: The robots are capable of carrying out hundreds of
clinical tests simultaneously, rehabilitating permanently disabled
people, and performing complex surgeries such as brain tumors.
 Exploration: The robot rock climbers used for space exploration,
underwater drones used for ocean exploration are to name a few.
 Entertainment: Disney’s engineers have created hundreds of
robots for movie making.
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39. Computational fluid dynamics
Techniques in Artificial Intelligence
 Computational models of human behavior:
• Programs that behave (externally) like humans
 One thing it could be is "Making computational models of human
behavior".
 Since we believe that humans are intelligent, therefore models of
intelligent behavior must be AI.
 Imagine that you wanted to make a program that played poker.
 Instead of making the best possible poker-playing program, you
would make one that played poker like people do.
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40.  Computational models of human “thought”
• Programs that operate (internally) the way humans do
 Another way is to make computational models of human thought
processes.
 This is a stronger and more constrained view of what the enterprise
is. It is not enough to make a program that seems to behave the way
humans do; you want to make a program that does it the way
humans do it.
 A lot of people have worked on this in cognitive science and in an
area called cognitive neuroscience.
 The research strategy is to affiliate with someone who does
experiments that reveal something about what goes on inside
people's heads and then build computational models that mirror
those kind of processes.
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41.  Computational systems that behave intelligently?
• What does it mean to behave intelligently?
 Another thing that we could do is build computational systems that
behave intelligently.
 What do we mean here? When we talked about human behavior, we
said that it was intelligent because humans are intelligent (sort of by
definition), so what humans do has to be intelligent.
 In this view, we say that there might be other ways of being
intelligent besides the way humans do it.
 we can recognize it when we see it. We'll give up on trying to decide
what intelligence is and spend our time thinking about rationality.
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42.  Computational systems that behave rationally
More on this later
 So, the perspective of this course is that we are going to build
systems that behave rationally -that do a good job of doing what
they're supposed to do in the world.
 But, we're not going to feel particularly bound to respect what is
known about how humans behave or function.
 Although we're certainly quite happy to take inspiration from what
we know.
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43.  AI applications
• Monitor trades, detect fraud, schedule shuttle loading, etc.
 There's another part of AI that we will talk about in this class that's
fundamentally about applications.
 Some of these applications you might not want to call "intelligent"
or "rational" but it is work that has traditionally been done in the
field of AI.
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44. PHARMACEUTICAL
AUTOMATION
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45. PHARMACEUTICAL AUTOMATION
Introduction
 Pharmaceutical Automation is considered to be a technology for
designing, analyzing, and controlling manufacturing through timely
measurements (i.e., during processing) of critical quality and
performance attributes of raw and in-process materials
Automation
 Means the use of machines and the equipment for the performing
physical and mental operation in a production processing place of
human being.
 It is a system of doing work where material handling, production
process and product design are integrated through mechanism of
thoughts and effort to achieve a set regulating and control system.
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46. It is the result of industrialization, driven by the need to increase
productivity and to archive consisting quality product. and processes
with the goal of ensuring final product quality.
 It can be done various levels of manufacturing system-
Handling of raw materials , semi-finished goods and finished
goods
During the production process(efficient machine are used)
In inspection and quality control operation
Purpose of Automation
1. To increase productivity
2. Reliving from heavy work load
3. Improve quality of products and reduce waste
4. For safe handling of hazardous substances
5. To reduce the cost
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47. ADVANTAGES
 It provides better quality of goods and service.
 It minimizes the total cost ,in direct labor cost.
 It provides effective control in operation.
 Greater accuracy, more output and greater speed are induced.
 It can improve a better working condition.
 Safety of workers is improved.
 Minimal of wastage is done.
 The quality of product improves as human input is minimized.
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48. DISADVANTAGES
 Huge capital investment is required.
 The maintenance cost is very high because maintenance labor of
high caliber is required.
 It can create unemployment.
 Continuous power supply is required.
 Large inventories are required
 Any breakdown, anywhere lead to the complete breakdown.
 There are restrictions in designing and construction of the building.
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49. AUTOMATION IN TABLET MANUFACTURING
Benefits of automation in tablet production
 1. Improve material handling.
 2. Improve specific unit operation- Unit operations in tablet
manufacturing-
Particle size reduction
Sieving
Mixing
Particle size enlargement
Drying
Compression
Sorting
Coating
Packaging
 3. Eliminate or combine processing steps.
 4. Incorporate automated process control of unit operation and processes.
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50. AUTOMATION IN PHARMACEUTICAL PACKAGING
Pharmaceutical packaging
 Pharmaceutical packaging is the combination of components
necessary to contain, preserve, protect and deliver a safe, efficacious
drug product.
 Functionally the packaging of pharmaceuticals involves
containment as well as protection from damaging environmental
factors such as moisture, oxygen, temperature and light
 In packaging system automation should include bottle orientation,
capping, labeling and collation.
 Automation of packaging will also require a system for monitoring
the operation that will cover a no of supervisory function, e.g.
checking for low hopper level, fallen bottles, low-level supply and
its routine function.
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51. New Types of Equipment And Technologies In
Automation Of Packaging Systems.
1. Bar code tracking
2. Robotics
3. Machine vision
4. Laser printing
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52. Stages of Automation in pharmaceutical
packaging
1. Internal packaging machine control only( no integration)
2. Electrical interlocking of packaging machine
3. Packaging equipment performance monitoring
4. Product to package verification
5. Machine readable code / text to product/package verification
6. Manufacturing work order input from MEC or ERP
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53. Automation in laboratory procedures
Analytical procedures can be divided into three stages
1. Sample preparation
2. Qualitative or quantitative measurement
3. Data reduction
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54. REFERENCES
 https://data-flair.training/blogs/artificial-intelligence-advantages-disadvantages/
 Artificial intelligence intelligent system, tutorials point pg:no: 1-4,47-50.
 Artificial Intelligence In The Life Sciences & Patent Analytics:market
Developments And Intellectual Property Landscape Primary Authors: Sophie
Brayne, Scott Mckellar & Kyriakos Tzafestas
 ARTIFICIAL INTELLIGENCE LECTURE NOTES (Subject Code: BCS-404) for
Bachelor of Technology in Computer Science and Engineering & Information
Technology by Prof. Pradipta Kumar Das ,Prof. D. Chandrasekhar Rao
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