Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets

Deepak Bandyopadhyay, Constantine Kreatsoulas, Pat G. Brady, Joseph Boyer, Zangdong He, Genaro Scavello, Tyler Peryea, Ajit Jadhav, Dac-Trung Nguyen, Rajarshi Guha. Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets. Journal of Chemical Information and Computer Sciences, 59(11):4880-4892, 2019. [doi]

Authors

Deepak Bandyopadhyay

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Constantine Kreatsoulas

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Pat G. Brady

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Joseph Boyer

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Zangdong He

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Genaro Scavello

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Tyler Peryea

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Ajit Jadhav

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Dac-Trung Nguyen

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Rajarshi Guha

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