Rishi Raj Gupta

2PUBLICATIONS
15CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistry
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Publications (2)

|Oct 22, 2026
The Scope Concept: Defined Chemical Space for Identifying Ligand-Efficient, Tractable Hits Applied to Drug Discovery Targets Trypanosomal CLK1, 14-3-3/Estrogen Receptor-α, and SARS-CoV-2 Mpro.

|Sep 21, 2026
Chemist-aligned retrosynthesis by ensembling diverse inductive bias models.

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Frequent Collaborators

1 joint publications

Krzysztof Maziarz

1 joint publications

Guoqing Liu

1 joint publications

Felix Pultar

1 joint publications

Andrew Baxter