HYDEing the false positives - scoring for lead optimization.
Nadine SchneiderGudrun LangeRobert KleinChristian LemmenMatthias RareyPublished in: J. Cheminformatics (2011)
Keyphrases
- false positives
- false negative
- false positive rate
- detection rate
- true positive
- number of false positives
- optimization algorithm
- optimization problems
- evolutionary algorithm
- constrained optimization
- evolution strategy
- global optimization
- false alarms
- real world
- low false positive rate
- training data
- website
- optimization process
- machine learning
- neural network
- data sets