Author

Arijit Patra

UCB Pharma (United Kingdom)ORCID 0000-0002-4447-6030Unclaimed ORCID profile · follow to get notified of new preprints

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Arijit Patra1 paper · Indian Institute of Science Education and Research, Tirupati

Biology Disciplines

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Bioinformatics· 1

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Approach:benchmark study· 1 Research Focus:drug response / drug discovery· 1

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Akshat Shirish ZalteiD· 1 shared Alan C. ChengiD· 1 shared Andreas BenderiD· 1 shared Cas WognumiD· 1 shared Cheng Fang· 1 shared Daniel J. Price· 1 shared Daniel KühniD· 1 shared David Alencar AraripeiD· 1 shared

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2026-2026 · peak 1/yr

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1 shared paperBioinformatics

Akshat Shirish ZalteORCID

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1 paper

Recent·Most cited

BioinformaticsbioRxivPreprintAug 24, 2026

Model Validation Protocols for Machine Learning in Small Molecule Drug Discovery

Srijit Seal, Akshat Shirish Zalte, David Alencar Araripe…·Cas Wognum

The paper presents a model validation framework for molecular property prediction models in drug discovery, revealing four failure modes and showing that common evaluation protocols overestimate performance.

DOI 10.64898/2026.08.19.745868

benchmark studydrug response / drug discovery

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