Implementing cheminformatics

por Guha, Rajarshi
Publicado 2019

Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties

por Guha, Rajarshi, Velegol, Darrell
Publicado 2023

Helping to improve the practice of cheminformatics

por Guha, Rajarshi, Willighagen, Egon
Publicado 2017

Learning cheminformatics

por Guha, Rajarshi, Willighagen, Egon
Publicado 2020

Diversifying cheminformatics

por Zdrazil, Barbara, Guha, Rajarshi
Publicado 2022

On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?

por Guha, Rajarshi, Medina-Franco, José L
Publicado 2014

Journal of Cheminformatics, ORCID, and GitHub

por Willighagen, Egon, Jeliazkova, Nina, Guha, Rajarshi
Publicado 2019

Synergy Maps: exploring compound combinations using network-based visualization

por Lewis, Richard, Guha, Rajarshi, Korcsmaros, Tamás, Bender, Andreas
Publicado 2015

Moving targets in drug discovery

por Zdrazil, Barbara, Richter, Lars, Brown, Nathan, Guha, Rajarshi
Publicado 2020

What is the role of cheminformatics in a pandemic?

por Guha, Rajarshi, Willighagen, Egon, Zdrazil, Barbara, Jeliazkova, Nina
Publicado 2021

Reply to “FAIR chemical structure in the Journal of Cheminformatics”

por Guha, Rajarshi, Jeliazkova, Nina, Willighagen, Egon, Zdrazil, Barbara
Publicado 2021

A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria

por KalantarMotamedi, Yasaman, Eastman, Richard T., Guha, Rajarshi, Bender, Andreas
Publicado 2018

A look back at a pilot of the citation typing ontology

por Guha, Rajarshi, Zdrazil, Barbara, Jeliazkova, Nina, Martinez-Mayorga, Karina
Publicado 2023

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

por Spjuth, Ola, Willighagen, Egon L, Guha, Rajarshi, Eklund, Martin, Wikberg, Jarl ES
Publicado 2010

Improving reproducibility and reusability in the Journal of Cheminformatics

por Hoyt, Charles Tapley, Zdrazil, Barbara, Guha, Rajarshi, Jeliazkova, Nina, Martinez-Mayorga, Karina, Nittinger, Eva
Publicado 2023

Identification of Mammalian Protein Quality Control Factors by High-Throughput Cellular Imaging

por Pegoraro, Gianluca, Voss, Ty C., Martin, Scott E., Tuzmen, Pinar, Guha, Rajarshi, Misteli, Tom
Publicado 2012

Using Machine Learning to Predict Synergistic Antimalarial Compound Combinations With Novel Structures

por Mason, Daniel J., Eastman, Richard T., Lewis, Richard P. I., Stott, Ian P., Guha, Rajarshi, Bender, Andreas
Publicado 2018

Profile of the GSK Published Protein Kinase Inhibitor Set Across ATP-Dependent and-Independent Luciferases: Implications for Reporter-Gene Assays

por Dranchak, Patricia, MacArthur, Ryan, Guha, Rajarshi, Zuercher, William J., Drewry, David H., Auld, Douglas S., Inglese, James
Publicado 2013

Userscripts for the Life Sciences

por Willighagen, Egon L, O'Boyle, Noel M, Gopalakrishnan, Harini, Jiao, Dazhi, Guha, Rajarshi, Steinbeck, Christoph, Wild, David J
Publicado 2007

The Blue Obelisk—Interoperability in Chemical Informatics

por Guha, Rajarshi, Howard, Michael T., Hutchison, Geoffrey R., Murray-Rust, Peter, Rzepa, Henry, Steinbeck, Christoph, Wegner, Jörg, Willighagen, Egon L.
Publicado 2006