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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Marinka Zitnik

2 results in Authors: Marinka Zitnik

Biological and Medicinal Chemistry

Activity Cliff-Informed Contrastive Learning for Molecular Property Prediction

WANXIANG SHEN, Chao Cui, Xiaorui Su, Zaixi Zhang, Alejandro Velez-Arce, Jianming Wang, Xiang Cheng Shi, Yan Bing Zhang, Jie Wu, Yu Zong Chen, Marinka Zitnik

Version 2 posted 07 November 2024

764

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Theoretical and Computational Chemistry

Actionable predictions of human pharmacokinetics at the drug design stage

Leonid Komissarov, Nenad Manevski, Katrin Groebke Zbinden, Torsten Schindler, Marinka Zitnik, Lisa Sach-Peltason

Version 1 posted 06 March 2024

542

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