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OJBTM
Online Journal of Bioinformatics©
Volume 22 (1): 12-17, 2021.
A model for identifying drug like molecules
Kailash Adhikari2,
Tapobrata Lahiri1[1],
Hrishikesh Mishra1,
Kalpana Singh1, Arun
Kumar CN2
1Indian
Institute of Information Technology, Jhalwa Campus,
Allahabad, 2IBM India Pvt Ltd., Bangalore- India
ABSTRACT
Adhikari K, Lahiri T,
Mishra H, Singh K, Kumar A., A model for identifying drug like molecules, Onl J Bioinform., 22 (1): 12-17, 2021. A model to identify drug like
characteristics of any small molecule from any database is described. DRAGON
software and feature selection was used to extract 15 of 785 sets of features
found to be significant for discrimination between drug and non-drug like
molecules. These features were fed into a feed forward back propagation neural
network classifier whose weights and biases were finally optimized through a Neuro-GA
module. Selection was based on numerical values.
Key words: Drug likeness, molecular descriptors, data
warehousing and mining, backpropagation network.
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