Rajarshi Guha - RankMe

48 papers Journal 46Unranked 2

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Paths to cheminformatics: Q&A with Rajarshi Guha. J. Cheminformatics Rajarshi Guha
2024	J	`jnl`	Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement. J. Cheminformatics Barbara Zdrazil, Rajarshi Guha, Karina Martínez-Mayorga, Nina Jeliazkova
2023	J	`jnl`	A look back at a pilot of the citation typing ontology. J. Cheminformatics Rajarshi Guha, Barbara Zdrazil, Nina Jeliazkova, Karina Martínez-Mayorga
2023	J	`jnl`	Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties. J. Cheminformatics Rajarshi Guha, Darrell Velegol
2023	J	`jnl`	Improving reproducibility and reusability in the Journal of Cheminformatics. J. Cheminformatics Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martínez-Mayorga, Eva Nittinger
2022	J	`jnl`	Diversifying cheminformatics. J. Cheminformatics Barbara Zdrazil, Rajarshi Guha
2021	J	`jnl`	Reply to "FAIR chemical structure in the Journal of Cheminformatics". J. Cheminformatics Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil
2021	J	`jnl`	What is the role of cheminformatics in a pandemic? J. Cheminformatics Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova
2020	J	`jnl`	Learning cheminformatics. J. Cheminformatics Rajarshi Guha, Egon L. Willighagen
2019	J	`jnl`	Implementing cheminformatics. J. Cheminformatics Rajarshi Guha
2019	J	`jnl`	Journal of Cheminformatics, ORCID, and GitHub. J. Cheminformatics Egon L. Willighagen, Nina Jeliazkova, Rajarshi Guha
2019	J	`jnl`	Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets. J. Chem. Inf. Model. Deepak Bandyopadhyay, Constantine Kreatsoulas, Pat G. Brady, Joseph Boyer, Zangdong He, Genaro Scavello, Tyler Peryea, Ajit Jadhav, Dac-Trung Nguyen, Rajarshi Guha
2017	J	`jnl`	Drug target ontology to classify and integrate drug discovery data. J. Biomed. Semant. Yu Lin, Saurabh Mehta, Hande Küçük-McGinty, John Paul Turner, Dusica Vidovic, Michele Forlin, Amar Koleti, Dac-Trung Nguyen, Lars Juhl Jensen, Rajarshi Guha, Stephen L. Mathias, Oleg Ursu, Vasileios Stathias, Jianbin Duan, Nooshin Nabizadeh, Caty Chung, Christopher Mader, Ubbo Visser, Jeremy J. Yang, Cristian Bologa, Tudor I. Oprea, Stephan C. Schürer
2017	J	`jnl`	Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck
2017	J	`jnl`	Helping to improve the practice of cheminformatics. J. Cheminformatics Rajarshi Guha, Egon L. Willighagen
2017	J	`jnl`	Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Res. Dac-Trung Nguyen, Stephen L. Mathias, Cristian Bologa, Søren Brunak, Nicolas F. Fernandez, Anna Gaulton, Anne Hersey, Jayme Holmes, Lars Juhl Jensen, Anneli Karlsson, Guixia Liu, Avi Ma'ayan, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha
2017	J	`jnl`	The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck
2015	J	`jnl`	BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types. Nucleic Acids Res. E. A. Howe, Andrea De Souza, David L. Lahr, S. Chatwin, Philip Montgomery, B. R. Alexander, Dac-Trung Nguyen, Yasel Cruz, D. A. Stonich, G. Walzer, J. T. Rose, Shaita C. Picard, Zihan Liu, Jamie N. Rose, X. Xiang, Jacob K. Asiedu, D. Durkin, J. Levine, J. J. Yang, Stephan C. Schürer, John C. Braisted, Noel Southall, Mark R. Southern, T. D. Y. Chung, Steve Brudz, C. Tanega, Stuart L. Schreiber, Joshua A. Bittker, Rajarshi Guha, Paul A. Clemons
2015	J	`jnl`	Synergy Maps: exploring compound combinations using network-based visualization. J. Cheminformatics Richard Lewis, Rajarshi Guha, Tamás Korcsmáros, Andreas Bender
2014	J	`jnl`	On the validity versus utility of activity landscapes: are all activity cliffs statistically significant? J. Cheminformatics Rajarshi Guha, José L. Medina-Franco
2012	J	`jnl`	Cheminformatics. Commun. ACM Jörg K. Wegner, Aaron D. Sterling, Rajarshi Guha, Andreas Bender, Jean-Loup Faulon, Janna Hastings, Noel M. O'Boyle, John P. Overington, Herman van Vlijmen, Egon L. Willighagen
2012	J	`jnl`	Exploring Uncharted Territories: Predicting Activity Clis in Structure-Activity Landscapes. J. Chem. Inf. Model. Rajarshi Guha
2012	J	`jnl`	Improving Usability and Accessibility of Cheminformatics Tools for Chemists through Cyberinfrastructure and Education. Silico Biol. Rajarshi Guha, Gary Wiggins, David J. Wild, Mu-Hyun Baik, Marlon E. Pierce, Geoffrey Charles Fox
2011	J	`jnl`	Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust
2010	—	`conf`	A Risk Factor Analysis of West Nile Virus: Extraction of Relationships from a Neural-Network Model. SBP Debarchana Ghosh, Rajarshi Guha
2010	J	`jnl`	Towards interoperable and reproducible QSAR analyses: Exchange of datasets. J. Cheminformatics Ola Spjuth, Egon L. Willighagen, Rajarshi Guha, Martin Eklund, Jarl E. S. Wikberg
2010	J	`jnl`	Use of genetic algorithm and neural network approaches for risk factor selection: A case study of West Nile virus dynamics in an urban environment. Comput. Environ. Urban Syst. Debarchana Ghosh, Rajarshi Guha
2009	J	`jnl`	Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository. J. Chem. Inf. Model. Narender Singh, Rajarshi Guha, Marc A. Giulianotti, Clemencia Pinilla, Richard A. Houghten, José L. Medina-Franco
2009	J	`jnl`	PubChem as a Source of Polypharmacology. J. Chem. Inf. Model. Bin Chen, David J. Wild, Rajarshi Guha
2008	J	`jnl`	Assessing How Well a Modeling Protocol Captures a Structure-Activity Landscape. J. Chem. Inf. Model. Rajarshi Guha, John H. Van Drie
2008	J	`jnl`	Flexible Web Service Infrastructure for the Development and Deployment of Predictive Models. J. Chem. Inf. Model. Rajarshi Guha
2008	J	`jnl`	On the interpretation and interpretability of quantitative structure-activity relationship models. J. Comput. Aided Mol. Des. Rajarshi Guha
2008	—	`conf`	SQMD: Architecture for Scalable, Distributed Database System Built on Virtual Private Servers. eScience Kang-Seok Kim, Marlon E. Pierce, Rajarshi Guha
2008	J	`jnl`	Structure-Activity Landscape Index: Identifying and Quantifying Activity Cliffs. J. Chem. Inf. Model. Rajarshi Guha, John H. Van Drie
2008	J	`jnl`	Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays. J. Comput. Aided Mol. Des. Rajarshi Guha, Stephan C. Schürer
2007	J	`jnl`	Chemical Data Mining of the NCI Human Tumor Cell Line Database. J. Chem. Inf. Model. Huijun Wang, Jonathan Klinginsmith, Xiao Dong, Adam C. Lee, Rajarshi Guha, Yuqing Wu, Gordon M. Crippen, David J. Wild
2007	J	`jnl`	Counting Clusters Using J. Chem. Inf. Model. Rajarshi Guha, Debojyoti Dutta, David J. Wild, Ting Chen
2007	J	`jnl`	Ensemble Feature Selection: Consistent Descriptor Subsets for Multiple QSAR Models. J. Chem. Inf. Model. Debojyoti Dutta, Rajarshi Guha, David J. Wild, Ting Chen
2007	J	`jnl`	Userscripts for the Life Sciences. BMC Bioinform. Egon L. Willighagen, Noel M. O'Boyle, Harini Gopalakrishnan, Dazhi Jiao, Rajarshi Guha, Christoph Steinbeck, David J. Wild
2007	J	`jnl`	Web Service Infrastructure for Chemoinformatics. J. Chem. Inf. Model. Xiao Dong, Kevin E. Gilbert, Rajarshi Guha, Randy W. Heiland, Jungkee Kim, Marlon E. Pierce, Geoffrey Charles Fox, David J. Wild
2006	J	`jnl`	Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions. J. Chem. Inf. Model. Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, Ting Chen
2006	J	`jnl`	Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing. J. Chem. Inf. Model. Debojyoti Dutta, Rajarshi Guha, Peter C. Jurs, Ting Chen
2006	J	`jnl`	The Blue Obelisk-Interoperability in Chemical Informatics. J. Chem. Inf. Model. Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry S. Rzepa, Christoph Steinbeck, Jörg K. Wegner, Egon L. Willighagen
2005	J	`jnl`	Determining the Validity of a QSAR Model - A Classification Approach. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2005	J	`jnl`	Interpreting Computational Neural Network QSAR Models: A Measure of Descriptor Importance. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2005	J	`jnl`	Interpreting Computational Neural Network Quantitative Structure-Activity Relationship Models: A Detailed Interpretation of the Weights and Biases. J. Chem. Inf. Model. Rajarshi Guha, David T. Stanton, Peter C. Jurs
2004	J	`jnl`	Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs
2004	J	`jnl`	Development of QSAR Models To Predict and Interpret the Biological Activity of Artemisinin Analogues. J. Chem. Inf. Model. Rajarshi Guha, Peter C. Jurs