Author

Parker Walther

Carleton College

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Biology Disciplines

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Bioinformatics· 1

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Approach:benchmark study· 1 Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:graph neural network· 1 Approach:machine learning (classical)· 1 Research Focus:software / tool· 1

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James ZouiD· 1 shared Jeremy LeitziD· 1 shared Joseph C. WuiD· 1 shared Kyle SwansoniD· 1 shared Rabindra V. ShivnaraineiD· 1 shared Souhrid MukherjeeiD· 1 shared

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2024-2024 · peak 1/yr

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1 shared paperBioinformatics

James ZouORCID

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1 paper

Recent·Most cited

ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries

Kyle Swanson, Parker Walther, Jeremy Leitz, Souhrid Mukherjee, Joseph C. Wu, Rabindra V. Shivnaraine, James Zou

ADMET-AI, a Chemprop-RDKit graph neural network trained on 41 TDC datasets, has the best average leaderboard rank and scores one million molecules in 3.1 hours.

Bioinformatics · Jun 21, 2024Peer-reviewedBioinformatics✦ In-depth digest