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» Structured Output Prediction of Anti-cancer Drug Activity
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PRIB
2010
Springer
192views Bioinformatics» more  PRIB 2010»
11 years 5 months ago
Structured Output Prediction of Anti-cancer Drug Activity
We present a structured output prediction approach for classifying potential anti-cancer drugs. Our QSAR model takes as input a description of a molecule and predicts the activity...
Hongyu Su, Markus Heinonen, Juho Rousu
IMSCCS
2007
IEEE
12 years 1 months ago
Asymmetric Bagging and Feature Selection for Activities Prediction of Drug Molecules
Background: Activities of drug molecules can be predicted by QSAR (quantitative structure activity relationship) models, which overcomes the disadvantages of high cost and long cy...
Guo-Zheng Li, Hao-Hua Meng, Mary Qu Yang, Jack Y. ...
ICML
2007
IEEE
12 years 7 months ago
An integrated approach to feature invention and model construction for drug activity prediction
We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
David Page, Jesse Davis, Soumya Ray, Vítor ...
NAR
2008
116views more  NAR 2008»
11 years 6 months ago
SuperPred: drug classification and target prediction
The drug classification scheme of the World Health Organization (WHO) [Anatomical Therapeutic Chemical (ATC)-code] connects chemical classification and therapeutic approach. It is...
Mathias Dunkel, Stefan Günther, Jessica Ahmed...
EDBT
2012
ACM
257views Database» more  EDBT 2012»
9 years 9 months ago
Indexing and mining topological patterns for drug discovery
Increased availability of large repositories of chemical compounds has created new challenges and opportunities for the application of data-mining and indexing techniques to probl...
Sayan Ranu, Ambuj K. Singh
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