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