Rajarshi Guha

cheminformatics hts qsar mining data network sar model database analysis diversity sali r fragment scaffold nearest validation cdk neighbor similarity rnai web regression synergy rnn cluster bioassay predictive screening druggable combination genome service ui rgroup combinatorial ppi protein visualization soap drug chemistry landscape clustering random forest statistics modeling text mining science bioinformatics rna data mining interpretation nih hprd idg polypharmacology target drug discovery hcs java tomcat apache nn random library shape 3d rcdk assay distributed high content imaging pathway graph tcrd forest cytotoxicity toxicity fingerprint rstats hadoop acs neighor mlscn bioclipse heatmap oss standards open medicinal access interaction hit cherrypick virtual screeing genego drexel rgroup combinatorial natural products lopac bao bayesian ontology machine learning file format cytoscape igraph design data science cancer small molecule malaria antagonism ibrutinib distribution syrjala discovery knowledge dossier ux proteome viz proteins darkgenome targets kmc api pharos facet search sunburst rest expression lucene sentiment pmml stats chembl sirna activity cliff prediction jsm hca descriptor ncgc robotic substructure smiles google boston datamining fragments pubchem sql solr distance response surface additivity annotation chemical biology curation cloud mcs bioisostere map reduce chemistry cheminformatics systems qsar.cloud health pizza programmin