Rajarshi Guha

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