Abstract. We propose a novel active learning strategy based on the compression framework of [9] for label ranking functions which, given an input instance, predict a total order ov...
Optimally designing the location of training input points (active learning) and choosing the best model (model selection) are two important components of supervised learning and h...
We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
Many structured activities are managed by email. For instance, a consumer purchasing an item from an e-commerce vendor may receive a message confirming the order, a warning of a ...
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...