no code implementations • 16 Aug 2019 • Paulo J. G. Lisboa, Sandra Ortega-Martorell, Sadie Cashman, Ivan Olier
This has the further advantage that the resulting GANN can be replicated as a SENN, enabling further refinement of the univariate and bivariate component functions to take place.
no code implementations • 8 Nov 2018 • Ivan Olier, Oghenejokpeme I. Orhobor, Joaquin Vanschoren, Ross D. King
In all three problems, transformative machine learning significantly outperforms the best intrinsic representation.
no code implementations • 12 Sep 2017 • Ivan Olier, Noureddin Sadawi, G. Richard Bickerton, Joaquin Vanschoren, Crina Grosan, Larisa Soldatova, Ross D. King
We first carried out the most comprehensive ever comparison of machine learning methods for QSAR learning: 18 regression methods, 6 molecular representations, applied to more than 2, 700 QSAR problems.