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Spectroscopic QSAR Methods and Self-Organizing Molecular Field Analysis for Relating Molecular Structure and Estrogenic Activity.
Arja Asikainen
Juhani Ruuskanen
Kari Tuppurainen
Published in:
J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
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molecular structure
machine learning methods
case study
empirical studies
significant improvement
cell biology
learning algorithm
preprocessing
computational cost
qualitative and quantitative