Evolution of Computers in Pharmaceutical Research and Development: A Historical Perspective. computer aided drug delivery system. use of computer in pharmaceutical

1. UNIVERSITY INSTITUTE OF PHARMA SCIENCES
Master of Pharmacy
SEMINAR
Topic- Evolution of Computers in Pharmaceutical
Research and Development: A Historical
Perspective
TARIQ HUSAIN
23MPH10001

2. Introduction
• Twenty five years ago, one could not even imagine a computer at
the desk of every scientist and company manager .
• Today, computers have become essential for storing, transmitting
and managing information.
• Computer now a days become a very useful and important tool in
every field but it is very useful in pharmaceutical industry.
• Computers have become indispensable in the field of
pharmaceutical research and development (R&D), offering
innovative solutions and transforming traditional methods. The
integration of advanced computing technologies has accelerated
drug discovery, improved the accuracy of research, and enhanced
the efficiency of the development process.
• With the help of computer its become very helpful for any
individual to do certain task.

3. Origin of Computers in Pharmaceutical
Research and Development
• Computers in pharmacy are used for the information of drug data,
records and files, drug management (creating, modifying, adding
and deleting data in patient files to generate reports), business
details.
• Receiving the details, storing it and processing it and its
dissemination is the main role of computers and this continuous
flow of information shows effective functioning of any system.
Twenty five years ago, one couldn't even imagine a computer at the
desk of each scientist and company manager. Today, computers
became essential for storing, transmitting and managing
information.
• Within the research and development industry computers don't
seem to be only important for drug discovery, but also for the
operation of laboratory and analysis of experimental and clinical
data.

4. History is divided in different parts.
1950s
1960s
1970s
1980
1990s
2000

5. 1950s
• Within the late 1950s or early 1960s, the primary computers to
possess stored programs of scientific interest were acquired. One
among these was an IBM 650. It had been administered by Lilly's
research statistics group under Dr. Edgar King.
• Two software which are used for scientific calculation are ENIAC and
UNIVAC.
• The introduction of the Cambridge Crystallographic Database
(CSD) and the Protein Data Bank (PDB) laid the foundation for
computational chemistry and drug design and their organic crystal
structure .
• Fortran (Formula Translation), the first high-level programming
language, was developed in 1957 by John Backus at IBM. This made
scientific programming more accessible for researchers who weren't
necessarily computer scientists.
• These initial efforts focused on predicting drug properties through
basic computational models.
• Overall, the 1950s represent an important starting point for
computers in R&D.

6. 1960s
• The concept of using computers for drug design
started to take shape. Initial attempts involved
simple molecular modeling and rudimentary
simulations.
• With the advent of early computer systems
pharmaceutical companies began to adopt
computers for basic data processing and
management tasks. These included managing
chemical data, patient records, and simple
statistical analyses.

7. 1970
• In the 1970s two new computer resources were launched namely
the Cambridge Structural Database (CSD) and the PDB (Protein Data
Bank). Computational chemists found this as a boon as these
databases would yield more therapeutically active compounds as
more compounds were deposited into them.
• Increased utilization of CADD techniques for predicting drug
properties and interactions.
• Development of quantitative structure-activity relationship (QSAR)
models to link a drug's chemical structure to its biological activity.
• With the advent of early computer systems, pharmaceutical
companies began to adopt computers for basic data processing and
management tasks. These included;-
• 1.managing chemical data,
• 2.patient records,
• 3.simple statistical analyses.

8. 1990
• Initially no company wanted to make an investment in a
supercomputer and it seems that the market would never break
open.
• According to a survey a few years later, 48 chemical and
pharmaceutical companies in the US were using computer aided
molecular design methods.
• Rise of Bioinformatics: The 1990s witnessed the integration of
large biological databases with computational tools. This fusion
gave rise to the field of bioinformatics.
• High Throughput Screening (HTS): Computers started playing a key
role in HTS, allowing researchers to rapidly test thousands of
compounds for potential drug activity.
These factors led to the growth of the computational scientist pool and
computers have become an indispensable factor in the process of
drug discovery and development ever since.

9. 2000s [also known as Modern Era]
• Integration of artificial intelligence (AI) and machine
learning (ML) techniques for drug discovery and
development processes.
• Increased focus on personalized medicine, using
individual genetic information to tailor drug therapy
• Continued refinement of CADD methods, including in
silico (computer-based) modeling and simulation.
• Growing use of big data analytics to analyze vast
datasets and identify potential drug targets and
mechanisms of action.

10. What are the future perspective
• Reducing development timelines and costs.
• Improving the accuracy and efficiency of drug
target identification and selection.
• Facilitating the design of more potent and
specific drugs.
• Enabling personalized medicine approaches

11. Uses of computers
• Computers have played a vital role in the development of clinical
pharmacy practice and basic pharmacy research :-
• Patient record Management
• Entries of Medication Orders
• Patient Medication Profile
• Drug Therapy Monitoring & Problem Detection
• Record Drug-Drug Interactions & ADR'S
• Pharmacy Automated drug interaction screening (PADIS)system
• Teaching Techniques
• Building Data Base
• Inventory control
• Medical Research
• Computerizing Drug Information System

12. Reference
• Review article
• 1.History of Computers in Pharmaceutical Research
and Development by ClinSkill | Dec
19,2017Pharmaceutical
• 2.Clinskill academy
• Research BOOK
• 3.Computer Applications in Pharmaceutical Research
and Development - "S.Ekins (Wiley, 2006) WW".