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New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way PLS.
Kiyoshi Hasegawa
Shigeo Matsuoka
Masamoto Arakawa
Kimito Funatsu
Published in:
Comput. Chem. (2002)
Keyphrases
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preprocessing
feature extraction
least squares
high accuracy
high precision
cross section
neural network
three dimensional
significant improvement
energy function
dimension reduction
gold standard