Rajarshi Guha

18PUBLICATIONS
74CO-AUTHORS
Deep learningComputational chemistryFairness, accountability, transparency, trust and ethics of computer systemsMolecular targetsStatistical mechanics in chemistry
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Publications (18)

|May 29, 2026
Developing Predictive Models by Sharing Predictions - An Investigation of a Federated Learning Approach for ADMET Predictions.

|Jan 14, 2024
Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement.

Barbara Zdrazil, Rajarshi Guha, Karina Martinez-Mayorga

|Jun 30, 2023
Improving reproducibility and reusability in the Journal of Cheminformatics.

Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha

|May 05, 2022
A High-Throughput Screening Platform Identifies Novel Combination Treatments for Malignant Peripheral Nerve Sheath Tumors.

Juana Fernández-Rodríguez, Edgar Creus-Bachiller, Xiaohu Zhang

|Jul 07, 2021
Reply to "FAIR chemical structure in the Journal of Cheminformatics".

Rajarshi Guha, Nina Jeliazkova, Egon Willighagen

|Mar 03, 2021
What is the role of cheminformatics in a pandemic?

Rajarshi Guha, Egon Willighagen, Barbara Zdrazil

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Frequent Collaborators

7 joint publications

Egon Willighagen

6 joint publications

Nina Jeliazkova

4 joint publications

Barbara Zdrazil

2 joint publications

Lars Carlsson