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CSB
2005
IEEE
120views Bioinformatics» more  CSB 2005»
13 years 11 months ago
Chemical Structure-Activity Relationship Visualization Using Structure Activity Maps
This study shows an effective way to explore and visualize the structure-activity relationships (SARs) of flavonoids with antioxidant activity using structure- activity maps (SAMs...
Weiguo Fan, Xin Lin, Yu-Wei Hsieh, Johnnie W. Bake...
DIS
2010
Springer
13 years 4 months ago
Adapted Transfer of Distance Measures for Quantitative Structure-Activity Relationships
Quantitative structure-activity relationships (QSARs) are regression models relating chemical structure to biological activity. Such models allow to make predictions for toxicologi...
Ulrich Rückert, Tobias Girschick, Fabian Buch...
SAINT
2005
IEEE
13 years 11 months ago
Inductive Logic Programming for Structure-Activity Relationship Studies on Large Scale Data
Inductive Logic Programming (ILP) is a combination of inductive learning and first-order logic aiming to learn first-order hypotheses from training examples. ILP has a serious b...
Cholwich Nattee, Sukree Sinthupinyo, Masayuki Numa...
CIBCB
2009
IEEE
13 years 6 months ago
Application of machine learning approaches on quantitative structure activity relationships
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...
Mariusz Butkiewicz, Ralf Mueller, Danilo Selic, Er...
PROCEDIA
2010
109views more  PROCEDIA 2010»
13 years 7 days ago
Ridge regression ensemble for toxicity prediction
Traditional methods of assessing chemical toxicity of various compounds require tests on animals, which raises ethical concerns and is expensive. Current legislation may lead to a...
Marcin Budka, Bogdan Gabrys