Rajarshi Guha

Rajarshi Guha publication distribution in Computer Science in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Computer Science in 2026. The highlighted bar marks where Rajarshi Guha sits on this spectrum.

Rajarshi Guha D-index placement in Computer Science in 2026

The chart shows the D-index (discipline H-index) distribution of Computer Science scientists ranked by Research.com in 2026. The highlighted bar marks where Rajarshi Guha sits on this spectrum.

Research.com Recognitions

• 2015 - ACM Fellow For contributions to structured data representation and specification and their impact on the Web.

Best Publications

• Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics

  Christoph Steinbeck;Christian Hoppe;Stefan Kuhn;Matteo Floris

  568
  Citations

• The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

  Egon L. Willighagen;John W. Mayfield;Jonathan Alvarsson;Arvid Berg

  516
  Citations

• The Blue Obelisk—Interoperability in Chemical Informatics

  Rajarshi Guha;Michael T. Howard;Geoffrey R. Hutchison;Peter Murray-Rust

  513
  Citations

• Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.

  Wesley C. Van Voorhis;John H. Adams;Roberto Adelfio;Roberto Adelfio;Vida Ahyong

  425
  Citations

• Unexplored therapeutic opportunities in the human genome.

  Tudor I. Oprea;Cristian G. Bologa;Søren Brunak;Allen Campbell

  406
  Citations

• High-content genome-wide RNAi screens identify regulators of parkin upstream of mitophagy

  Samuel A. Hasson;Lesley A. Kane;Koji Yamano;Chiu-Hui Huang

  402
  Citations

• Structure--activity landscape index: identifying and quantifying activity cliffs.

  Rajarshi Guha;John H. Van Drie

  389
  Citations

• Pharos: Collating protein information to shed light on the druggable genome

  Dac-Trung Nguyen;Stephen L. Mathias;Cristian Bologa;Søren Brunak

  307
  Citations

• Chemical Informatics Functionality in R

  Rajarshi Guha

  306
  Citations

• The NCATS BioPlanet - An Integrated Platform for Exploring the Universe of Cellular Signaling Pathways for Toxicology, Systems Biology, and Chemical Genomics.

  Ruili Huang;Ivan Grishagin;Yuhong Wang;Tongan Zhao

  299
  Citations

• What are we ‘tweeting’ about obesity? Mapping tweets with topic modeling and Geographic Information System

  Debarchana "Debs" Ghosh;Rajarshi Guha

  261
  Citations

• On Exploring Structure–Activity Relationships

  Rajarshi Guha

  197
  Citations

• Navigating structure-activity landscapes.

  Jürgen Bajorath;Lisa Peltason;Mathias Wawer;Rajarshi Guha

  195
  Citations

• Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.

  Narender Singh;Rajarshi Guha;Marc A Giulianotti;Clemencia Pinilla

  174
  Citations

• PubChem as a source of polypharmacology.

  Bin Chen;David J. Wild;Rajarshi Guha

  173
  Citations

• KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries.

  Simon Saubern;Rajarshi Guha;Jonathan Bayldon Baell

  137
  Citations

• Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance

  Rajarshi Guha;Peter C. Jurs

  134
  Citations

• Determining the validity of a QSAR model--a classification approach.

  Rajarshi Guha;Peter C. Jurs

  127
  Citations

• On the interpretation and interpretability of quantitative structure-activity relationship models.

  Rajarshi Guha

  120
  Citations

• Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

  Noel M. O'Boyle;Rajarshi Guha;Egon L. Willighagen;Samuel E. Adams

  109
  Citations