Results 131 to 140 of about 721,084 (255)

Computational Toxicology

, 2012
Brad Reisfeld, Arthur N. Mayeno
openalex   +2 more sources

Quantum chemical calculations of nitrosamine activation and deactivation pathways for carcinogenicity risk assessment

Frontiers in Pharmacology
N-nitrosamines and nitrosamine drug substance related impurities (NDSRIs) became a critical topic for the development and safety of small molecule medicines following the withdrawal of various pharmaceutical products from the market.
Andreas H. Göller, Sandra Johanssen, Adam Zalewski, Verena Ziegler   +3 more
doaj   +1 more source

The Abl1 tyrosine kinase is a key player in doxorubicin-induced cardiomyopathy and its p53/p73 cell death mediated signaling differs in atrial and ventricular cardiomyocytes

Journal of Translational Medicine
Background Doxorubicin is an important anticancer drug, however, elicits dose-dependently cardiomyopathy. Given its mode of action, i.e. topoisomerase inhibition and DNA damage, we investigated genetic events associated with cardiomyopathy and searched ...
Jürgen Borlak, Yari Ciribilli, Alessandra Bisio, Saravanakumar Selvaraj, Alberto Inga, Jung-Hwa Oh, Reinhard Spanel   +6 more
doaj   +1 more source

HyperSBINN: A Hypernetwork-Enhanced Systems Biology-Informed Neural Network for Efficient Drug Cardiosafety Assessment [PDF]

arXiv
Mathematical modeling in systems toxicology enables a comprehensive understanding of the effects of pharmaceutical substances on cardiac health. However, the complexity of these models limits their widespread application in early drug discovery. In this paper, we introduce a novel approach to solving parameterized models of cardiac action potentials by
arxiv  

Quantitative Characterization of Molecular Similarity Spaces: Tools for Computational Toxicology

, 2000
Subnash C. Basak
openalex   +2 more sources

Computational Toxicology Approaches at the US Food and Drug Administration

, 2009
Chihae Yang, Luis G. Valerio, Kirk Arvidson   +2 more
openalex   +1 more source

Chemical research projects office: An overview and bibliography, 1975-1980 [PDF]

The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and ...
Heimbuch, A. H., Kourtides, D. A., Parker, J. A.   +2 more
core   +1 more source

Tools for evidence-based toxicology: computational-based strategies as a viable modality for decision support in chemical safety evaluation and risk assessment [PDF]

, 2008
LG Valerio
openalex   +1 more source

Correction: Computational Toxicology of Chloroform: Reverse Dosimetry Using Bayesian Inference, Markov Chain Monte Carlo Simulation, and Human Biomonitoring Data [PDF]

, 2008

openalex   +1 more source

Computational science in drug metabolism and toxicology [PDF]

, 2010
Luis G. Valerio
openalex   +1 more source