Results 321 to 330 of about 2,598,515 (356)

Computational Systems Toxicology

2015
Constantinescu, Simona, Sturla, Shana J, Marra, Giancarlo, Wollscheid, Bernd, Beerenwinkel, Niko   +4 more
openaire   +2 more sources

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

Chemical Reviews, 2021
Alexandre Tkatchenko, Bingqing Cheng, John A Keith   +2 more
exaly  

Free and open source software for computational chemistry education

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2022
Susi Lehtola, Antti J Karttunen
exaly  

Computers in toxicological education: An overview

Medical Informatics, 1985
F. Dewhurst, J. M. Cummins, B. A. Long, R. A. Clarke   +3 more
openaire   +3 more sources

From model performance to decision support – The rise of computational toxicology in chemical safety assessments

Computational Toxicology
C. Barber, A. Fowkes, T. Hanser, C. Heghes   +3 more
semanticscholar   +1 more source

The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.

Archives of Toxicology
Xinyi Lu, Xin Wang, Shuo Chen, Tengjiao Fan, Lijiao Zhao, Rugang Zhong, Guohui Sun   +6 more
semanticscholar   +1 more source

Use of computational toxicology (CompTox) tools to predict in vivo toxicity for risk assessment.

Regulatory toxicology and pharmacology : RTP, 2020
M. H. Silva
semanticscholar   +1 more source

The challenge of predicting distal active site mutations in computational enzyme design

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2021
Sílvia Osuna
exaly  

Joint Virtual Special Issue on Computational Toxicology

Journal of Chemical Information and Modeling, 2020
I. Tetko, A. Tropsha
semanticscholar   +1 more source

Computational toxicology: From cheminformatics to nanoinformatics

Food and Chemical Toxicology, 2018
Antreas Afantitis, Georgia Melagraki
openaire   +2 more sources