Computational Toxicology
Toxicity prediction using locality-sensitive deep learner
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Xiu Huan Yap, Michael Raymer
Computational Toxicology
Development of a QSAR model to predict comedogenic potential of some cosmetic ingredients
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Sebla Oztan Akturk, Gulcin Tugcu, Hande Sipahi
Computational Toxicology
Prediction of mammalian maximal rates of metabolism and Michaelis constants for industrial and environmental compounds: Revisiting four quantitative structure activity relationship (QSAR) publications
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Lisa M. Sweeney, Teresa R. Sterner
Computational Toxicology
Critical evaluation of ToxCast-Reactome predicted toxicity pathway correspondence of the human liver HepG2 activity profile with observed PFOA and PFOS hazards
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Andrey Massarsky, Jillian A. Parker, Melinda T. Donnell, Ernest S. Fung, Kenneth M. Unice
Computational Toxicology
Quantitative Structure-Activity Relationship (QSAR) modeling to predict the transfer of environmental chemicals across the placenta
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Laura Lévêque, Nadia Tahiri, Michael-Rock Goldsmith, Marc-André Verner
Computational Toxicology
Comparing the performance and coverage of selected <em>in silico</em> (liver) metabolism tools relative to reported studies in the literature to inform analogue selection in read-across: A case study
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Matthew Boyce, Brian Meyer, Chris Grulke, Lucina Lizarraga, Grace Patlewicz
Computational Toxicology
Synthesis and characterization of novel thiazole derivatives as potential anticancer agents: Molecular docking and DFT studies
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): R. Raveesha, A.M. Anusuya, A.V. Raghu, K. Yogesh Kumar, M.G. Dileep Kumar, S.B. Benaka Prasad, M.K. Prashanth
Computational Toxicology
ALOHA: Aggregated local extrema splines for high-throughput dose–response analysis
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Sarah E. Davidson, Matthew W. Wheeler, Scott S. Auerbach, Siva Sivaganesan, Mario Medvedovic
Computational Toxicology
Screening of compounds from Nigerian antidiabetic plants as protein tyrosine phosphatase 1B inhibitor
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Femi Olawale, Kolawole Olofinsan, Opeyemi Iwaloye, Prosper Obed Chukwuemeka, Olusola Olalekan Elekofehinti
Computational Toxicology
Evaluating confidence in toxicity assessments based on experimental data and <em>in silico</em> predictions
Publication date: February 2022Source: Computational Toxicology, Volume 21Author(s): Candice Johnson, Lennart T. Anger, Romualdo Benigni, David Bower, Frank Bringezu, Kevin M. Crofton, Mark T.D. Cronin, Kevin P. Cross, Magdalena Dettwiler, Markus Freri…