📌About Us
We are a drug discovery team with an interest in the development of publicly available open-source customizable cheminformatics tools to be used in computer-assisted drug discovery. We belong to the Laboratory of Bioactive Research and Development (LIDeB) of the National University of La Plata (UNLP), Argentina. Our research group is focused on computer-guided drug repurposing and rational discovery of new drug candidates to treat epilepsy and neglected tropical diseases.
💻Web Site https://lideb.biol.unlp.edu.ar
iRaPCA WebApp
iRaPCA Clustering is a clustering strategy based on an iterative combination of the random subspace approach (feature bagging), dimensionality reduction through Principal Component Analysis (PCA) and the k-means algorithm. The optimal number of clusters k and the best subset of descriptors are selected from plots of silhouette coefficient against different k values and subsets. Different validation metrics can be downloaded once the process has finished. A number of graphs may be built and readily downloaded through a simple click.
If you are looking to contact us, please send a mail to [email protected] or contact us by Twitter (https://twitter.com/LIDeB_UNLP)