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Concept
Quantitative Structure-Activity Relationship (QSAR)
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Summary
Quantitative Structure-Activity Relationship
(QSAR) is a method used in
Computational Chemistry
to predict the activity or properties of
Chemical Compounds
based on their
Molecular Structure
. By establishing a
Mathematical relationship
between chemical structure and
Biological Activity
, QSAR models aid in
Drug Design
and
Environmental Risk Assessment
by reducing the need for extensive
Experimental testing
.
Concepts
Molecular Descriptors
Regression Analysis
Machine Learning
Predictive Modeling
Chemical Informatics
Bioinformatics
Pharmacophore Modeling
Validation Techniques
Feature Selection
Chemoinformatics
Randic Index
Zagreb Index
Wiener Index
Rational Drug Design
Ligand-based Drug Design
Relevant Degrees
Chemistry, Crystallography, Mineralogy 40%
Biological Sciences 30%
Pharmacology and Therapeutics 20%
Computational Mathematics 10%
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