Utilisation of computers and computational tools in pharmaceutical industry started in early 1940. Applications of computer drug delivery systems and Pharmacoinformatics. It is used in digital laboratories and hospital pharmacy and retail pharmacy etc.

1. History of Computers in Pharmaceutical Research and Development
School of Pharmaceutical Sciences
C.S.J.M.University, Kanpur
Presented By-
Richa Chandra
M.Pharm 1st yr
(Pharmaceutics)
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Presentation on

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• Computers began to be utilised at pharmaceutical companies in early’s 1940s.
• There were several scientiflc and engineering advances that made possible a computational
approach to design and develop a molecule.
• One fundamental concept understood by chemists was that the chemical structure is related to
molecular properties including biological activity.
• A quarter-century ago, the idea of a computer on the desk of every scientist and company manager
was not even possible.
• Now, computers are absolutely essential for generating, managing and transmitting information.
• Today computers are seen everywhere in Pharmaceutical research and development.
HISTORY OF COMPUTERS IN PHARMACEUTICAL RESEARCH AND
DEVELOPMENT

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• In 1900 century, computer was designed to be used for accounting purpose, paper managing and
then moderately set a tool for scientific research.
• In 1960s, the concept of receiver and lock-key was given by P. Ehrich and E. Fisher, basically review
the target-drug interaction.
• 1970s: concept of Quantitative structure- activity relationships(QSAR) was established, which had
limitations: 2-dimensional, retrospective analysis.
• 1980s: CADD Molecular Biology, X-Ray crystallography, multidimensional NMR along with
computer graphics started the era of molecular modelling. And the most important
development of Chem Draw software and 3D structure of compound.
• 1990s: Modern techniques such as Human genome, Bioinformatics were introduced along with
Combinatorial chemistry high throughput target/drug selection in medical science efforts
were made in which large number of new chemical entities achieved in pharmaceutical
marketplace. And then the supercomputer was introduced in market which became an necessary
factor in the process of drug discovery and development in pharmaceutical.
Brief Account On Historic Development

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Pharmacoinformatics
• It is the new originating information technology.
• It includes neuroinformatics, bioinformatics, immunoinformatics, genoinformatics,
metaboloinformatics, healthinformatics which are used as a base for the discovery of drugs.
• The computers are needed to spread this pharmacoinformatics, i.e., transferring the information/
data and knowledge to the public. This evolving technology is becoming a fundamental
component to pharmaceutical sciences.
• Medical informatics focuses using information processing with in the clinical setting for medical
billing, patient and resource scheduling, and patient care.

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Current applications of computers in pharmacy
• Usage of computers in the Retail Pharmacy.
• Computer aided design of drugs (CADD)
• Use of computers in Hospital Pharmacy.
• Data Storage and Retrieval.
• Information system in Pharmaceutical Industry.
• Diagnostic laboratories.
• Clinical trial management.
• Adverse drug event control.
• Computers in pharmaceutical formulation.
• Computers in toxicology and risk assessment.
• Computational modeling of drug disposition.
• In Research Publication.
• Digital Libraries.

6. THANK YOU
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