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CIBCB
2009
IEEE
13 years 5 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...
AAAI
2010
13 years 4 months ago
Fast Conditional Density Estimation for Quantitative Structure-Activity Relationships
Many methods for quantitative structure-activity relationships (QSARs) deliver point estimates only, without quantifying the uncertainty inherent in the prediction. One way to qua...
Fabian Buchwald, Tobias Girschick, Eibe Frank, Ste...
SAINT
2005
IEEE
13 years 10 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...
IUI
2005
ACM
13 years 10 months ago
Automated email activity management: an unsupervised learning approach
Many structured activities are managed by email. For instance, a consumer purchasing an item from an e-commerce vendor may receive a message confirming the order, a warning of a ...
Nicholas Kushmerick, Tessa A. Lau
ICML
2004
IEEE
14 years 5 months ago
Learning first-order rules from data with multiple parts: applications on mining chemical compound data
Inductive learning of first-order theory based on examples has serious bottleneck in the enormous hypothesis search space needed, making existing learning approaches perform poorl...
Cholwich Nattee, Sukree Sinthupinyo, Masayuki Numa...