Clustering of Chemical Compounds using Unsupervised Neural Networks Algorithms: a comparison
Clustering of chemical databases has tremendous significance in the process of compound selection, virtual screening and in the drug designing and discovery process as a whole. Traditionally, hierarchical methods like Ward’s and Group Average (Gave) and nonhierarchical methods like Jarvis Patrickâ...
Main Authors: | , |
---|---|
Format: | Conference or Workshop Item |
Language: | English |
Published: |
2006
|
Subjects: | |
Online Access: | http://eprints.utm.my/3060/1/Clustering_of_Chemical_Compounds_using.pdf |