Inferring Compound Similarity: A Clustering Approach in Drug Discovery

Drug discovery and development rely heavily on the systematic process of finding and altering chemical structures to achieve diverse biological activities for specific diseases. The primary goal of drug discovery is to find novel chemicals with medicinal promise. From a pool of millions of molecules...

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Bibliographic Details

Published in:	2024 1st International Conference on Cognitive, Green and Ubiquitous Computing (IC-CGU) pp. 1 - 6
Main Authors:	Palli, Parimala, Mishra, Satyasis, Rao, P. Srinivasa
Format:	Conference Proceeding
Language:	English
Published:	IEEE 01.03.2024
Subjects:	Agglomerative Hierarchical Clustering Algorithm Clustering algorithms Drugs K-Means Clustering Algorithm Lead Machine Learning Machine learning algorithms SMILES Supervised Learning Systematics Task analysis Ubiquitous computing UnSupervised Learning
Online Access:	Get full text
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