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Kaushalya Madhawa

Primary ORCID profile (0000-0002-6488-6723 · 1 paper)Unclaimed ORCID profile · follow to get notified of new preprints

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Kaushalya MadhawaiD1 paper · The University of Tokyo

Biology Disciplines

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Bioinformatics· 1

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Approach:Bayesian inference· 1 Research Focus:drug response / drug discovery· 1 Approach:large language model· 1

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Jun Jin ChoongiD· 1 shared Keisuke OzawaiD· 1 shared Yiming ZhangiD· 1 shared

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2026-2026 · peak 1/yr

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1 shared paperBioinformatics

Jun Jin ChoongORCID

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1 paper

Recent·Most cited

BioinformaticsJournal of Chemical Information and ModelingPeer-reviewedApr 29, 2026

AutoLead: An LLM-Guided Bayesian Optimization Framework for Multi-Objective Lead Optimization

Yiming Zhang, Jun Jin Choong, Kaushalya Madhawa, Keisuke Ozawa

AutoLead uses LLMs and Bayesian optimization to optimize drug-like molecules for multiple objectives, achieving state-of-the-art results on a new benchmark dataset.

1 citation

large language modelBayesian inference