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, Molecular Descriptors from 2D Structures for Chemoinformatics and Toxicoinformatics.
Huixiao Hong
Qian Xie
Weigong Ge
Feng Qian
Hong Fang
Leming Shi
Zhenqiang Su
Roger Perkins
Weida Tong
Published in:
J. Chem. Inf. Model. (2008)
Keyphrases
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drug discovery
molecular structure
computational methods
three dimensional
virtual screening
data sets
neural network
image retrieval
shape context
database
data mining
machine learning
bayesian networks
statistical methods
molecular level
rotationally invariant