22 search results - page 1 / 5 » Structured Output Prediction of Anti-cancer Drug Activity |
PRIB
2010
Springer
13 years 2 months ago
2010
Springer
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...
IMSCCS
2007
IEEE
13 years 10 months ago
2007
IEEE
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...
ICML
2007
IEEE
14 years 5 months ago
2007
IEEE
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...
NAR
2008
13 years 4 months ago
2008
The drug classification scheme of the World Health Organization (WHO) [Anatomical Therapeutic Chemical (ATC)-code] connects chemical classification and therapeutic approach. It is...
EDBT
2012
ACM
11 years 7 months ago
2012
ACM
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...