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Predictive toxicology

A feature transferring workflow between data-poor compounds in various tasks

Xiaofei Sun, Jingyuan Zhu, [ ... ], Huiqing Xu

Selected by bioinformatics and molecular docking analysis, Dhea and 2–14,15-Eg are effective against cholangiocarcinoma

Lei Qin, Jun Kuai, [ ... ], Guangpeng Li

Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT study

Mamaru Bitew, Tegene Desalegn, [ ... ], Rajalakshmanan Eswaramoorthy

Fucosyltransferase 2 inhibitors: Identification via docking and STD-NMR studies

Humaira Zafar, Muhammad Atif, Atia-tul-Wahab, M. Iqbal Choudhary

Investigating myotoxicity following Australian red-bellied black snake (Pseudechis porphyriacus) envenomation

Suchaya Sanhajariya, Stephen B. Duffull, Geoffrey K. Isbister

PharmaNet: Pharmaceutical discovery with deep recurrent neural networks

Paola Ruiz Puentes, Natalia Valderrama, [ ... ], Pablo Arbeláez

Epitope-based universal vaccine for Human T-lymphotropic virus-1 (HTLV-1)

Md. Thosif Raza, Shagufta Mizan, [ ... ], Shah Md. Shahik

The importance of making testable predictions: A cautionary tale

Emma S. Choi, Erik Saberski, [ ... ], George Sugihara

Botulinum toxin injection without electromyographic guidance in consecutive esotropia

Hee Kyung Yang, Dong Hyun Kim, Jeong-Min Hwang

Immunoinformatics approach for predicting epitopes in HN and F proteins of Porcine rubulavirus

Luis I. Siañez-Estrada, José F. Rivera-Benítez, [ ... ], Irma Herrera-Camacho

Does ‘Dry Hit’ vaping of vitamin E acetate contribute to EVALI? Simulating toxic ketene formation during e-cigarette use

Milad Narimani, Gabriel da Silva

A simple predictive model for estimating relative e-cigarette toxic carbonyl levels

Shawna Vreeke, Xijing Zhu, Robert M. Strongin

Use of deep learning methods to translate drug-induced gene expression changes from rat to human primary hepatocytes

Shauna D. O’Donovan, Kurt Driessens, [ ... ], Theo M. C. M. de Kok

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