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COMPUTERS IN PHARMACEUTICAL
RESEARCH AND DEVELOPMENT
: A GENERAL OVERVIEW
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HISTORY OF COMPUTERS IN gurpreet_pharma85@yahoo.com
PHARMACEUTICAL RESEARCH AND
DEVELOPMENT
INTRODUCTION
Today, computers are so ubiquitous in
pharmaceutical research and development that it
may be hard to imagine a time when there were
no computers to assist the medicinal chemist or
biologist.
Computers began to be utilized at pharmaceutical
companies as early as the 1940s.
There were several scientific and engineering
advances that made possible a computational
approach to design and develop a molecule.
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COMPUTATIONAL CHEMISTRY: THE BEGINNINGS
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AT LILLY
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STATISTICAL MODELING IN PHARMACEUTICAL
RESEARCH AND DEVELOPMENT
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HISTORY gurpreet_pharma85@yahoo.com
OF
COMPUTATIONAL CHEMISTRY 1951
UNIVAC- 1st
1925, 1950 Commercial
warner Clemens comp. was
heisenberg, Max roothaan built
1971,
born & pascal formulated commercially
jordan developed LCAO available intel
matrix theory 4004
mechanics 1955 1st ab microprosser
1947
iniitio
1925, ENIAC first
calculation
walter & fritz general
on ‘large’ 1970
published 1st purpose
molecules john pople
calculation comp was
introduced
on chemical built
Gaussian
bonding 1964,
1930 software
hohenberg &
1927, Vldamir Walter kohn
Douglas hartee fock introduced
published self- formulated density
consistent field hartee-Fock functional 22
method theory theory
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IMPORTANCE OF COMPUTERS IN
PHARMA INDUSTRY
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SUMMARY
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Data analysis
Behavioural study
Ethowatcher Behaviour analysis
MARS(multimodal animal Animal activity tracing,
rotation system ) enzyme activity
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quality of care .
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Thank you
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