Application of Conformal Prediction in QSAR, In: AIAI, issue.2, pp.166-175, 2012. ,
DOI : 10.1007/978-3-642-33412-2_17
The application of conformal prediction to the drug discovery process, Annals of Mathematics and Artificial Intelligence, vol.2, issue.8, 2013. ,
DOI : 10.1007/s10472-013-9378-2
Algorithmic Learning in a Random World, 2005. ,
Cross-conformal predictors, Annals of Mathematics and Artificial Intelligence, vol.36, issue.1-2, pp.1-20, 2013. ,
DOI : 10.1007/s10472-013-9368-4
URL : http://arxiv.org/abs/1208.0806
Cross-conformal predictor. Working Paper 6, 2013. ,
Analyzing bagging, The Annals of Statistics, vol.30, issue.4, pp.927-961, 2002. ,
DOI : 10.1214/aos/1031689014
Statistics and Data Analysis for Financial Engineering (Springer Texts in Statistics). 1., st edition, 2010. ,
Statistical learning theory. 1 edn, 1998. ,
LIBSVM, ACM Transactions on Intelligent Systems and Technology, vol.2, issue.3, pp.1-2727, 2011. ,
DOI : 10.1145/1961189.1961199
Scikit-learn: Machine learning in Python, Journal of Machine Learning Research, vol.12, pp.2825-2830, 2011. ,
URL : https://hal.archives-ouvertes.fr/hal-00650905
Reliable prediction intervals with regression neural networks, Neural Networks, vol.24, issue.8, pp.842-851, 2011. ,
DOI : 10.1016/j.neunet.2011.05.008
Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms, Journal of Chemical Information and Modeling, vol.53, issue.6, pp.1324-1336, 2013. ,
DOI : 10.1021/ci4001376
The Signature Molecular Descriptor. 4. Canonizing Molecules Using Extended Valence Sequences, Journal of Chemical Information and Computer Sciences, vol.44, issue.2, pp.427-463, 2004. ,
DOI : 10.1021/ci0341823
Quantile estimation with adaptive importance sampling, The Annals of Statistics, vol.38, issue.2, pp.1244-1278, 2010. ,
DOI : 10.1214/09-AOS745