Proceedings ArticleDOI
Drug-like and non drug-like pattern classification based on simple topology descriptor using hybrid neural network.
Wan Mohd Fahmi Wan-Mamat,Nor Ashidi Mat Isa,Habibah A. Wahab,Wan Mohd Fairuz Wan-Mamat +3 more
- Vol. 2009, pp 6424-6427
TLDR
In this work, a well understood and easy excess Rule of Five + Veber filter properties are selected as the topological descriptor to assure that the intelligent prediction system could be used widely, beneficial and more advantageous regardless at all user level within a drug discovery organization.Abstract:
An intelligent prediction system has been developed to discriminate drug-like and non drug-like molecules pattern. The system is constructed by using the application of advanced version of standard multilayer perceptron (MLP) neural network called Hybrid Multilayer Perceptron (HMLP) neural network and trained using Modified Recursive Prediction Error (MRPE) training algorithm. In this work, a well understood and easy excess Rule of Five + Veber filter properties are selected as the topological descriptor. The main idea behind the selection of this simple descriptor is to assure that the system could be used widely, beneficial and more advantageous regardless at all user level within a drug discovery organization.read more
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Journal ArticleDOI
Identification of a druggable protein-protein interaction site between mutant p53 and its stabilizing chaperone DNAJA1.
Xin Tong,Dandan Xu,Rama K. Mishra,Ryan Jones,Leyu Sun,Gary E. Schiltz,Jie Liao,Guang Yu Yang +7 more
TL;DR: The results indicate that the interacting pocket in the DNAJA1–mutp53R175H complex is critical for mutp53’s stability and oncogenic function, and DNA JA1 is a robust therapeutic target for developing the efficient small molecule inhibitors against oncogens mutp 53.