Rajarshi Guha
Computational Theory and Mathematics · 2006–2017
A researcher in the Science corpus: 7 papers; trusts 1 researcher and is trusted by 1 researcher here, as inferred from the citation graph.
Subfields
- Computational Theory and Mathematics — 34 citations into it; #11,250 of 12,182 by trust here, #1,133 by citations
Whom Rajarshi Guha trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Rajarshi Guha overall
- Grgoire Montavon
- A. W. Sousa da Silva
- Markus A. Lill
- Tyler W. H. Backman
- Aurélien Grosdidier
- Matthias Rupp
- Patrick Rinke
- Yiqun Cao
- Egon Willighagen
- Vincent Zoete
Papers from Rajarshi Guha's perspective
Ordered by how strongly the researchers Rajarshi Guha trusts endorse each paper. Same corpus, a different order for every researcher.
- DrugBank 3.0: a comprehensive resource for ‘Omics’ research on drugs
- ChEMBL: a large-scale bioactivity database for drug discovery
- Prediction of Drug Combinations by Integrating Molecular and Pharmacological Data
- The ChEMBL bioactivity database: an update
- Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
- The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands (Nucleic Acids Res.)
- Multi-target therapeutics: when the whole is greater than the sum of the parts. (Drug Discovery Today)
- Sharing and community curation of mass spectrometry data with GNPS (Nature Biotechnology)
- Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
- Cytoscape: a software environment for integrated models of biomolecular interaction networks.
Their papers
- The Blue Obelisk—Interoperability in Chemical Informatics (2006) — 381 citations
- Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics. (2006) — 449 citations
- Synergy Maps: exploring compound combinations using network-based visualization (2015) — 33 citations
- The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching (2017) — 423 citations
- KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries (2011) — 114 citations
- Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond (2016) — 364 citations
- Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs (2008) — 312 citations