The Partial Response Network: a neural network nomogram

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.

Additive models Benchmarking +3

Transformative Machine Learning

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.

BIG-bench Machine Learning Explainable Models +3

Meta-QSAR: a large-scale application of meta-learning to drug design and discovery

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.

BIG-bench Machine Learning Meta-Learning +1