LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity-Application to the Tox21 and Mutagenicity Data Sets.
Jin ZhangDaniel MucsUlf NorinderFredrik SvenssonPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- data sets
- prediction algorithm
- detection algorithm
- worst case
- experimental evaluation
- single pass
- highly efficient
- computational cost
- similarity measure
- memory efficient
- matching algorithm
- computationally efficient
- learning algorithm
- optimal solution
- search space
- probabilistic model
- objective function
- computational complexity
- preprocessing
- benchmark data sets
- k means
- optimization algorithm
- segmentation algorithm
- theoretical analysis
- np hard
- dynamic programming
- significant improvement
- times faster
- particle swarm optimization
- high accuracy
- motion estimation
- publicly available data sets