Title
Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques.
Abstract
In this study, we proposed a machine learning techniques that uses low-dimensional sparse modeling to predict the PPB value of cyclic peptides computationally. The low-dimensional sparse model not only exhibits excellent generalization performance but also improves interpretation of the prediction model. This can provide common an noteworthy knowledge for future cyclic peptide drug discovery studies.
Year
DOI
Venue
2018
10.1186/s12859-018-2529-z
BMC Bioinformatics
Keywords
Field
DocType
Biostability,Cyclic peptide,Feature selection,Plasma protein binding (PPB),Sparse modeling
Interpretability,Drug discovery,Biology,Biological system,Feature selection,Lasso (statistics),Beam search,Small molecule,Cyclic peptide,Overfitting,Genetics
Journal
Volume
Issue
ISSN
19
Suppl 19
1471-2105
Citations 
PageRank 
References 
0
0.34
3
Authors
6
Name
Order
Citations
PageRank
Takashi Tajimi100.34
Naoki Wakui200.34
Keisuke Yanagisawa300.34
Yasushi Yoshikawa400.34
Masahito Ohue5288.17
Yutaka Akiyama617237.62