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Predictive toxicology

Comparing the diagnostic performance of ordinary, mixed, and lasso logistic regression models at identifying opioid and cannabinoid poisoning in U.S. dogs using pet demographic and clinical data reported to an animal poison control center (2005–2014)

Mohammad Howard-Azzeh, David L. Pearl, Terri L. O’Sullivan, Olaf Berke

Repurposing the Medicines for Malaria Venture’s COVID Box to discover potent inhibitors of Toxoplasma gondii, and in vivo efficacy evaluation of almitrine bismesylate (MMV1804175) in chronically infected mice

Bruna Ramos dos Santos, Amanda Bruno da Silva Bellini Ramos, [ ... ], Juliana Quero Reimão

Computer simulation approach to the identification of visfatin-derived angiogenic peptides

Ji Myung Choi, Srimai Vuppala, [ ... ], Bo Sun Joo

A fragment-based drug discovery developed on ciclopirox for inhibition of Hepatitis B virus core protein: An in silico study

Alireza Mohebbi, Touba Ghorbanzadeh, [ ... ], Ali Salehnia Sammak

Guidance for good practice in the application of machine learning in development of toxicological quantitative structure-activity relationships (QSARs)

Samuel J. Belfield, Mark T.D. Cronin, Steven J. Enoch, James W. Firman

Indenyl-thiazole and indenyl-formazan derivatives: Synthesis, anticancer screening studies, molecular-docking, and pharmacokinetic/ molin-spiration properties

Ghaidaa H. Alfaifi, Thoraya A. Farghaly, Magda H. Abdellattif

Low skeletal muscle mass is predictive of dose-limiting toxicities in head and neck cancer patients undergoing low-dose weekly cisplatin chemoradiotherapy

Jan-Niklas Becker, Robert Hermann, [ ... ], Frank Bruns

Immunoinformatics analysis of candidate proteins for controlling bovine paratuberculosis

Maryam Sadat Moezzi, Abdollah Derakhshandeh, Farhid Hemmatzadeh

A framework for assessing the impact of accelerated approval

A. Lawrence Gould, Robert K. Campbell, [ ... ], Rui Tang

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

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