Dataform is building software to help the data teams that spend 80% of their time preparing and formatting the data they need to conduct analyses, create dashboards or perform machine learning functions.
It unifies many JavaScript components that are useful for chemists like JSME molecule editor [15], JSmol 3D structure visualizer [16], jsGraph tool for graphics visualization [17], jsNMR for visualization of NMR spectra [18], or various useful machine learning functions [19].
The re-scoring results are finally written to a generic csv file for further analysis (Figure 1). Figure 1 Code snippet illustrating ligand filtering, the docking procedure using the Autodock Vina engine, and rescoring with two machine learning functions: NNScore and RFscore.
Machine learning scoring functions consist of four main building blocks: descriptors, model, training set and test set.
ODDT reimplements many state-of-the-art methods, such as machine learning scoring functions (RF-Score and NNScore) and wraps other external software to ease the process of developing CADD pipelines.
In this paper, a new machine learning solution for function approximation is presented.
MapReduce provides a feasible framework for programming machine learning algorithms in Map and Reduce functions.
In neural network based machine learning algorithms, radial basis function (RBF) network is a simple supervised learning feed forward network.
Jungla– Marrying the power of machine learning with proprietary protein function maps, Jungla is the world's best predictor for variants of unknown significance in the genome starting with cancers.
