Distance-dependent: characterizing virtual screening datasets

Characterizing one-class datasets

This paper aims at characterizing classification problems to find the main features that determine the differences in performance by different classifiers. It is known that, using the disagreements between the classifiers, a distance measure between datasets can be defined. The datasets can then be embedded and visualized in a 2-D scatterplot. This embedding thus reveals the structure of the se...

Characterizing Multiple Instance Datasets

Distance and Virtual Laboratories

The paper deals with basic philosophy and structure of a remote controlled laboratory for experimentation in Electrical Engineering. The laboratory collects experiments from fields of Power Electronics, Electrical Machines, Electro-Mechanical and Motion Control Systems. The workbenches in the real laboratory are used over internet. Real experiments of the laboratory are distributed at various u...

Pharmacophore Based Virtual Screening Approach to Identify Selective PDE4B Inhibitors

Phosphodiesterase 4 (PDE4) has been established as a promising target in asthma andchronic obstructive pulmonary disease. PDE4B subtype selective inhibitors are known toreduce the dose limiting adverse effect associated with non-selective PDE4B inhibitors. Thismakes the development of PDE4B subtype selective inhibitors a desirable research goal. Toachieve this goal, ligand based pharmacophore m...

Characterizing mapk signaling in different cancers Through large public datasets

Melanoma is the most common form of cancer that originates in the skin; decades of intensive investigation generated large datasets that are currently provided to the open public. Large public datasets such as The Cancer Genome Atlas (referred to as TCGA), reveal that the majority of cases for both melanoma and papillary cancer (originating in the thyroid gland) harbor mutations affecting the B...