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Author

O. Taboureau

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Open access Sep 2026

Applicability of NAMs to support a read-across based hazard assessment workflow for systemic toxicity: a conazole case study.

This work explores the applicability of new approach methodologies (NAMs) using a read-across approach to predict systemic toxicity with liver as the critical target organ, and derive a point of departurefor the target compound (TC) difenoconazole. Eight conazoles were used as source compounds (SCs), alongside metaboli...

Barira Islam, Jenny Irwan, L. Wijaya et al. · 0 citations
Open access Aug 2026

NextTopDocker: A Large-Scale Docking-Power Benchmark Reveals Limitations of Current End-to-End Machine-Learning Docking and the Strength of Hybrid Rescoring.

“NextTopDocker” is presented, a large, up-to-date, open-access data set for docking-power assessment comprising 14,038 training and 5201 test entries across 3173 unique protein targets, constructed from the Protein Data Bank.

Cao-Minh Truong, Pedro J. Ballester, O. Taboureau et al. · 0 citations

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