Ai in drug discovery and drug development

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SRUTHI N

Artificial intelligence in drug discovery and development

Health & Medicine

Traditional Drug Discovery
Artificial Intelligence

Identifying hit
• Natural & synthetic
compounds
• Analogues of natural
ligands
Compound
centered
• High-throughput
screening
• Structure based design
Target
centered

Target centered
High throughput screening

Artificial
intelligence
in drug
discovery&
development
Challenges
&Opportunities
Current
Approaches
Breakthrough
Achieved
What is AI?
Why its important

How AI used in drug discovery?
Identifying novel interactions
Inferring functional importance of different components of
cellular Pathway
Overcome the challenges of
traditional drug discovery
methods

Traditional AI
Target- driven Data-driven
Work well for easily druggable targets
that have a well defined structure and
whose interactions inside the cell are
understood in detail
Complex algorithms and machine
learning can extract meaningful
information from a large data set
Extremely limited due to the complex
nature of cellular interactions& limited
Knowledge of intricate pathways
Identify compounds that could bind to
undruggable targets( proteins whose
structures are not identified)

Advantages….
Subjective
bias and
existing
knowledge
not a factor
High predictive
value

Draw backs…
Algorithm bias
Grey zone interpretation
Ethical issues
Validation needed
Investment
Technical issues

SUMMARY
What is AI
Role in drug development
Advantages and drawbacks
Future scopes

Ai in drug discovery and drug development

What's hot

ARTIFICIAL INTELLIGENT IN DRUG DISCOVERY:- AN OVERVIEW OF AWARENESS. AI is showing the potential to be a faster and more efficient way to find and develop new drugs. A growing number of organizations and universities are focusing to minimize the complexities involved in the classical way of drug discovery by using AI computing to envisage which drug candidate are most likely to be effective treatments. It is hard to measure the adoption of AI in drug discovery. Pharma and biotech companies tend to not publicly disclose competitive technology use. While organizations are adopting the technology, there is significant untapped potential for those willing to be more aggressive. Which is depending on the realization of the potential with education and relevant success stories

ARTIFICIAL INTELLIGENCE IN DRUG DISCOVERY "AN OVERVIEW OF AWARENESS"

FinianCN

Artificial intelligence in Pharma refers to the use of automated algorithms to perform tasks which traditionally rely on human intelligence. Over the last five years, the use of artificial intelligence in the pharma and biotech industry has redefined how scientists develop new drugs, tackle disease, and more. Given the growing importance of Artificial Intelligence for the pharma industry, we wanted to create a comprehensive report which helps every business leader understand the biggest breakthroughs in the biotech space which are assisted by the deployment of artificial intelligence technologies.

How Artificial Intelligence in Transforming Pharma

Tyrone Systems

Very brief overview of AI in drug discovery

Dr. Gerry Higgins

Artificial Intelligence: Role In Pharma Sector

JayBhavsar41

Artificial intelligence ppt

Swastik Jyoti

Tutorial delivered at ECML-PKDD 2021. TL;DR: This tutorial reviews recent developments on drug discovery using machine learning methods. Powered by neural networks, modern machine learning has enjoyed great successes in data-intensive domains such as computer vision and languages where human can naturally perform well. Machine learning equipped with reasoning is now accelerating fields that traditionally require deep expertise such as physics, chemistry and biomedicine. This tutorial provides an overview of how machine learning and reasoning are speeding up and lowering the cost of drug discovery. This includes how machine learning can help in wide range of areas such as novel molecule identification, protein representation, drug-target binding, drug re-purposing, generative drug design, chemical reaction, retrosynthesis planning, drug-drug interaction, and safety assessment. We will also discuss relevant machine learning models for graph classification, molecular graph transformation, drug generation using deep generative models and reinforcement learning, and chemical reasoning.

Machine Learning and Reasoning for Drug Discovery

Deakin University

Artificial Intelligence in Pharmaceutical Industry

Kevin Lee

Artificial Intelligence in Pharmaceutical Science

Ahmed Obaidullah

Artificial intelligence in Pharmaceutical Industry

Mounika Mouni

Creating novel drugs is an extraordinarily hard and complex problem. One of the many challenges in drug design is the sheer size of the search space for novel chemical compounds. Scientists need to find molecules that are active toward a biological target or pathway and at the same time have acceptable ADMET properties. There is now considerable research going on using various AI and ML approaches to tackle these challenges. Our distinguished speakers, Drs. Alex Tropsha and Ola Engkvist, will discuss their recent work in Drug Design involving Deep Reinforcement Learning and Neural Networks, and will answer questions from the audience on the current state of the research in the field. Speakers: Prof Alex Tropsha, Professor at University of North Carolina at Chapel Hill, USA Dr. Ola Engkvist, Associate Director at AstraZeneca R&D, Gothenburg, Sweden

AI & ML in Drug Design: Pistoia Alliance CoE

Pistoia Alliance

In this lecture, I provide an overview on how computers can be instrumental in drug discovery efforts. Topics covered includes: big data as a result of omics effort; bioinformatics; cheminformatics; biological space; chemical space; how computers particularly machine learning (and data science) can be applied in the context of drug discovery. A video of this lecture is also provided on the "Data Professor" YouTube channel available at http://bit.ly/dataprofessor If you are fascinated about data science, it would mean the world to me if you would consider subscribing to this channel (by clicking the link below): http://bit.ly/dataprofessor

Computational Drug Discovery: Machine Learning for Making Sense of Big Data i...

Chanin Nantasenamat

Artificial intelligence

Yogesh Jadhao

Computational Drug Design

baoilleach

Drug discovery and development is a long and expensive process over time has notoriously bucked Moore's law that it now has its own law called Eroom's Law named after it (the opposite of Moore). It is estimated that the attrition rate of drug candidates is up to 96% and the average cost to develop a new drug has reached almost $2.5 billion in recent years. One of the major causes for the high attrition rate is drug safety, which accounts for 30% of drug failures. Even if a drug is approved in market, it could be withdrawn due to safety problems. Therefore, evaluating drug safety extensively as early as possible becomes all the more important to accelerate drug discovery and development. This talk provides a high-level overview of the current process of rational drug design that has been in place for many decades and covers some of the major areas where the application of AI, Deep learning and ML based techniques have had the most gains. Specifically, this talk covers a variety of drug safety related AI and ML based techniques currently in use which can generally divided into 3 main categories: 1. Classification 2. Regression 3. Read-across. The talk will also cover how by using a hierarchical classification methodology you can simplify the problem of assessing toxicity of any given chemical compound. We will also address recent progress of predictive models and techniques built for various toxicities. It will also cover some publicly available databases, tools and platforms available to easily leverage them. We will also compare and contrast various modeling techniques including deep learning techniques and their accuracy using recent research. Finally, the talk will also address some of the remaining challenges and limitations yet to be addressed in the area of drug safety assessment.

Assessing Drug Safety Using AI

Databricks

Artificial Intelligence for Discovery

DayOne

Artificial intelligence in field of pharmacy

Kaustav Dey

Overcoming challenges in Drug Development

Charles Oo

Artificial intelligence in Pharmacovigilance

SMS MEDICAL COLLEGE

Challenges and drawbacks of drug discovery and development

Gaurav Aggarwal

HIGH THROUGHPUT SCREENING Technology

University Of Swabi

What's hot (20)

ARTIFICIAL INTELLIGENCE IN DRUG DISCOVERY "AN OVERVIEW OF AWARENESS"

How Artificial Intelligence in Transforming Pharma

Very brief overview of AI in drug discovery

Artificial Intelligence: Role In Pharma Sector

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Artificial Intelligence in Pharmaceutical Industry

Artificial Intelligence in Pharmaceutical Science

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AI & ML in Drug Design: Pistoia Alliance CoE

Computational Drug Discovery: Machine Learning for Making Sense of Big Data i...

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Journal

Nathh Dipankarr

The-Future-of-AI-in-Drug-Discovery.pptx

RAJ K. MAURYA

The convergence of artificial intelligence (AI) and drug discovery has ushered in a new era in healthcare, promising groundbreaking advancements in precision medicine. AI, with its ability to analyze vast datasets, identify patterns, and predict outcomes, is revolutionizing the drug discovery process. This transformative approach not only accelerates the development of novel therapeutics but also enhances the customization of treatments, leading to more targeted and effective medical interventions.

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ClinosolIndia

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pooja sabarinathan

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sciencesdarts

Artificial intelligence

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sathya sreehari

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Naresh Juttu

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chausafali181

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Darvan Shvan

A drug may be defined as “a chemical entity that when consumed/injected, results in the control or eradication of a particular disease/infection”. Drug discovery is a pipeline process involved in the evolution of drugs and involves “genes to drugs” strategy. Identifying the gene responsible for a particular disease process and finally evolving a drug to combat the disease-these three forms the main areas in this strategy.

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Role of computer in the discovery of drugs

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NavpreetSingh132

aidrugdevelopment-211119100400.pptx

VenkataSurya12

Bioinformatics role in Pharmaceutical industries

Muzna Kashaf

The pharmaceutical industry stands to be transformed by Artificial Intelligence AI , particularly in areas such as drug discovery, clinical trials, and personalized medicine. However, there are several obstacles to implementing AI in this industry, including limited familiarity with the technology, inadequate IT infrastructure, and the difficulty of extracting valuable data from patients records. One specific application of AI in the pharmaceutical field involves the development of small peptides with antimicrobial properties, which can serve as novel antibiotics to combat superbugs that are resistant to multiple drugs. AI can assist in determining the effectiveness and potency of these peptides, facilitating the development of powerful antibiotics. Despite these challenges, AI holds tremendous potential in the pharmaceutical industry, enabling accelerated innovation, time and cost savings, and ultimately, saving lives. In conclusion, although there are limitations to adopting AI in pharma, there are numerous promising future prospects that could revolutionize the industry and enhance patient outcomes. Shaikh Sameer Salim | Manoj Kumar "Impact of Artificial Intelligence in the Pharmaceutical World- A Review" Published in International Journal of Trend in Scientific Research and Development (ijtsrd), ISSN: 2456-6470, Volume-7 | Issue-3 , June 2023, URL: https://www.ijtsrd.com.com/papers/ijtsrd57564.pdf Paper URL: https://www.ijtsrd.com.com/computer-science/artificial-intelligence/57564/impact-of-artificial-intelligence-in-the-pharmaceutical-world-a-review/shaikh-sameer-salim

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