Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study.
Lubabah A. MousaMámon M. HatmalMutasem O. TahaPublished in: J. Comput. Aided Mol. Des. (2022)
Keyphrases
- case study
- statistical models
- significant improvement
- probabilistic model
- machine learning methods
- preprocessing
- artificial neural networks
- numerical methods
- machine learning algorithms
- statistical methods
- statistical model
- predictive power
- data mining
- predictive model
- mathematical models
- regression model
- benchmark datasets
- data mining techniques
- dynamic programming
- image sequences