Biases in In Silico Evaluation of Molecular Optimization Methods and Bias-Reduced Evaluation Methodology.
Hiroshi KajinoKohei MiyaguchiTakayuki OsogamiPublished in: CoRR (2022)
Keyphrases
- evaluation methodology
- optimization methods
- evaluation process
- evaluation methods
- evaluation framework
- test set
- optimization method
- evaluation measures
- test collection
- evaluation metrics
- simulated annealing
- optimization problems
- evaluation methodologies
- user centred evaluation
- stochastic methods
- query suggestion
- evolutionary algorithm
- training set
- data sets
- search algorithm
- training data
- information retrieval