Reference and Bibliography¶
- Brownlee-2022
- Brownlee, J.How to Grid Search Hyperparameters for Deep Learning Models in Python with Keras.Machine Learning Mastery, July 2, 2022.
- Hua-2005
- Hua, J.; Xiong, Z.; Lowey, J.; Suh, E.; Dougherty, E.R.Optimal Number of Features as a Function of Sample Size for Various Classification Rules.Bioinformatics 2005, 21 (8), 1509–1515.DOI: 10.1093/bioinformatics/bti171
- Tensorflow
- We use Tensorflow to build our models.
- Martín Abadi, et al.TensorFlow: Large-scale machine learning on heterogeneous systems, 2015. Software available from tensorflow.org.
- LIME
- For explanation of predicted molecules we use Local Interpretable Model-Agnostic Explanations (LIME).
- Ribeiro, Marco Tulio et al.“Why Should I Trust You?”: Explaining the Predictions of Any Classifier, 2016, Association for Computing Machinery