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Modern Applications in Pharmacy & Pharmacology

Introduction to Computational Methods and Their Applications in Chemistry

  • Open or Close Kishor Arora*

    Department of Chemistry, Govt PG College (Autonomous), India

    *Corresponding author: Kishor Arora, Department of Chemistry, Govt PG College (Autonomous), Datia (MP) 475 661, India

Submission: February 01, 2018; Published: May 30, 2018

DOI: 10.31031/MAPP.2018.02.000531

ISSN 2637-7756
Volume2 Issue2


It is a demand in the modern era of chemical sciences to develop and design new and useful compounds for the service of mankind without the use of methods which are traditional one. Workers were trying to develop and synthesizing series of new compounds since past in the laboratories using traditional synthetic methods and they used to check their properties thereafter. This process is time consuming and this lead to synthesis of a large number of compounds. Some recent trends have been emerged and developed in the field of designing of compounds which may include microwave synthesis, computer aided designing etc. Out of these methods this present talk/presentation will focus on computer aided designing i.e. studying and designing of compounds of on the PC first without trying a lot of synthesis in the lab. These computational methods are less time consuming, involve less chances of error, helpful in controlling and causing less pollution and may prove to be helpful in designing compounds with desired properties. This paper/lecture includes introduction to the computational methods, a little theory behind these methods, their applications and use of software/s particularly use of software/s of semi-empirical methods in QSAR studies.

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