HOW AI IS THE FUTURE OF

Presentation title

PHARMA-DRUG DISCOVERY
 WHAT IS AI???
AGENDA
AI vs ML vs DL vs DS

Forward-Looking
Trends of AI in pharma
Challenges of
AI in pharma

AI Types & Benefits

AI-Drug Discovery Process

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 OBVIOUS QUESTION- WHAT IS AI??

Programs that behave

externally like humans?

Programs that
operate
internally as Rational behaviour
humans do?

Computational
systems that
behave
intelligently?

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 INTRODUCTION

AI is a study of how human brain think, learn, decide

and work, when it tries to solve problems

Any Code, Technique or Algorithm that enables

machine to mimic, develop & demonstrate human
behaviour

The aim of AI is to improve computer functions which

are related to human knowledge, for example,
reasoning, learning, and problem-solving.

The intelligence is intangible. It is composed of

Problem Linguistic
Reasoning Learning Perception
solving intelligence

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 WHY IT MATTERS??

Artificial Intelligence and machine learning present the industry with a real opportunity to do R&D differently
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 BIG CONFUSION: AI vs ML vs DL vs DS

To enable computers to think

Bunch of Statistical tools to learn

from data Its all about understanding
Data>Define features> & making sense of data
Create Model>Make predictions

It’s a Multilayered artificial Neural networks (concerned with algorithms, inspired

By structure & function of brain)
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AI vs ROBOT

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 AI TYPES

Artificial superintelligence is a term referring to

the time when the capability of computers will
surpass humans. "Artificial intelligence," which Artificial Weak AI has intelligence with
Artificial
has been much used since the 1970s, refers to
Narrow limited to very specific area
the ability of computers to mimic human Super
thought. Artificial superintelligence goes a step intelligence EX- FB timeline, Chess Etc
beyond, and posits a world in which a Intelligence
computer’s cognitive ability is superior to a (Weak AI)
human’s

Artificial General
Intelligence
(Strong AI)

Strong artificial intelligence (strong AI) is an artificial intelligence construct that has mental capabilities and functions that mimic the
human brain. In the philosophy of strong AI, there is no essential difference between the piece of software, which is the AI, exactly
emulating the actions of the human brain, and actions of a human being
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BENEFITS OF AI

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 EXAMPLES of AI

Cleverbot is a chatterbot web application that uses an A self-driving car, also known as a robot car, autonomous car, or driverless car, is
artificial intelligence algorithm to have conversations with a vehicle that is capable of sensing its environment and moving with little or no
humans human input

Watson is a question-answering computer system capable of answering questions posed in natural

language, developed in IBM's Deep Learning. AI Consulting Services from IBM help you leverage AI to
drive smart reinvention of your workflows and technology
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EXAMPLE-MICRO AIR VEHICLE (MAV)- Drones

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AI- Drug Discovery

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 7 STEPS INVOLVED IN DRUG DISCOVERY

Everything before clinical is critical What Therapeutic area do we work in??

DISEASE What Diseases are we targeting?
PATHOLOGY

Everything that happened in TARGET

Pre-clinical is round off errors CLINICAL IDENTIFICATI What exact process are we
ON going to target in this disease area?

Is the yield at purity profile is reproducible

Can this compound be PRE-

ASSAY What kind of assay are
CLINICAL
scaled up at all? DEVELOPME
DEVELOPME
you going to run
NT & SCREEN
Can the reagents be Sourced? NT
Target based or Phenotypic?

Few months to year Narrow pre clinical studies

LEAD
Improve the classic medicinal properties of: OPTIMIZATI HIT TO LEAD What Hits are most Interesting, Possibly
Potency, Selectivity, Toxic side effects ON
Interesting & non factors??
& pharmacokinetics

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 WHAT AI CAN DO??

Artificial Intelligence is showing the potential to be faster, more efficient way to find and develop new Drugs

WHAT IF??

A software generates new molecular structures by Combining

properties of existing drugs

Automatic chemical design helps drug discovery team jump to

conclusion in a faster & accurate manner

A treatment method from the ground up using a deep learning

neural network

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 AI BASED PHARMA COMPANIES IN DRUG DISCOVERY

Leading pharma companies already started working on AI enabled drug discovery models or collaborating
with Tech/IT organizations.

Established Tech/IT companies have also started diverting/expanding their portfolio towards drug discovery

AstraZeneca

Evotec

Janssen

Novartis

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 ROLE OF AI

In May 2018, MIT announced that Amgen was a member of its Machine Learning
Amgen for Pharmaceutical Discovery and Synthesis Consortium.

AstraZeneca In August 2017, AstraZeneca announced a partnership to discover therapeutic

targets for neurological diseases such as Parkinson's.

Astellas appears to be focusing AI drug discovery on repurposing existing

Astellas
compounds

In January 2017, BASF announced a partnership with Nuritas which combines

artificial intelligence and genomics to discover natural peptides with health
BASF
benefits. In November 2018, the pair announced the first peptide to be
commercialized under the partnership

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 ROLE OF AI

In August 2018, Bayer included AI drug-design company Cyclica in its Grants4Apps

program. In November 2018, Cyclica announced that Bayer was using its technology for
Bayer off-target effect investigation, pharmacokinetic property prediction, and multi-targeted
drug design

A Numerate press release states that it is "leveraging the power of cloud

Boehringer Ingelheim computing and novel computational methods to transform the drug design
process."

Celgene is an investor in precision medicine start-up GNS Healthcare. In January 2019, AI

Celgene drug discovery start-up Exscientia announced that Celgene invested in its Series B.

In June 2017, Genentech and precision medicine start-up GNS Healthcare announced a
Genentech partnership to find and validate potential cancer drug targets

In May 2018, GSK announced a partnership to use AI for the design of novel small-
GSK
molecule drugs with Cloud Pharmaceuticals.

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AI TECHNIQUES IN USE FOR DRUG DISCOVERY

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 SUMMARY- AI ON DRUG DISCOVERY

Artificial Intelligence enabled techniques(AIET) assist drug discovery team in finding perfect or
most optimum
Lead among great number of tentative drug candidates.

AIET can generate large pool of data based on input & customized solution you need.

AIET can wrangle tens of crores of data to present you with the most optimum set of data, by
filtering
Unwanted one.

AIET’s most important job/tool is to extract only those relevant data (from huge data pool, from
patent data
Base and other data base source) which is most consistent, significant & result oriented from
discovery point Of view for targeted disease.

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Original Blog updates on application of AI in healthcare

https://blogs.nvidia.com/?s=healthcare

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AI-QBD

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