Three dimensional quantitative structure-toxicity relationship modeling and prediction of acute toxicity for organic contaminants to algae.
Xiangqin JinMinghao JinLianxi ShengPublished in: Comput. Biol. Medicine (2014)
Keyphrases
- three dimensional
- chemical compounds
- prostate cancer
- prediction accuracy
- d objects
- gaussian process models
- hierarchical structure
- structural information
- prediction model
- quantitative and qualitative
- geometric structure
- structural analysis
- graph structure
- models built
- survival analysis
- drug discovery
- early detection
- structural features
- data sets
- network structure
- image sequences
- genetic algorithm