References

  1. Faulon J-L. Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules. J Chem Inf Comput Sci. 1994;34: 1204–1218.
  2. Faulon J-L, Churchwell CJ, Visco DP Jr. The signature molecular descriptor. 2. Enumerating molecules from their extended valence sequences. J Chem Inf Comput Sci. 2003;43: 721–734.
  3. Faulon J-L, Collins MJ, Carr RD. The signature molecular descriptor. 4. Canonizing molecules using extended valence sequences. J Chem Inf Comput Sci. 2004;44: 427–436.
  4. Carlsson L, Eklund M, Norinder U. Aggregated Conformal Prediction. Artificial Intelligence Applications and Innovations. Springer Berlin Heidelberg 2014. pp. 231–240.
  5. Ahlberg E, Spjuth O, Hasselgren C, Carlsson L. Interpretation of Conformal Prediction Classification Models. Statistical Learning and Data Sciences. Springer International Publishing 2015. pp. 323–334.
  6. Alvarsson J, Eklund M, Andersson C, Carlsson L, Spjuth O, Wikberg JES. Benchmarking study of parameter variation when using signature fingerprints together with support vector machines. J Chem Inf Model. 2014;54: 3211–3217.
  7. Papadopoulos H, Haralambous h. Reliable prediction intervals with regression neural networks. Neural Networks 2011;24 pp. 842–851.
  8. Vovk V. Cross-conformal predictors. Ann Math Artif Intell 2015;74 pp. 9–28.