Results 41 to 50 of about 69,485 (336)

OPERA models for predicting physicochemical properties and environmental fate endpoints

Journal of Cheminformatics, 2018
The collection of chemical structure information and associated experimental data for quantitative structure–activity/property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful
Kamel Mansouri, Chris M. Grulke, Richard S. Judson, Antony J. Williams   +3 more
doaj   +1 more source

Population variability in animal health: Influence on dose-exposure-response relationships: Part II: Modelling and simulation [PDF]

, 2018
During the 2017 Biennial meeting, the American Academy of Veterinary Pharmacology and Therapeutics hosted a 1‐day session on the influence of population variability on dose‐exposure‐response relationships. In Part I, we highlighted some of the sources of
Bailey, Bon, Cox, Darwich, Dorey, Duwal, Ette, Fink, Jamei, Jamei, Jeunesse, Li, Li, Lin, Maaland, Margolskee, Margolskee, Martinez, Martinez, Martinez, Mochel, Mochel, Mochel, Mochel, Mochel, Mould, Ogungbenro, Pade, Pade, Paulson, Pelligand, Rey, Rostami-Hodjegan, Sheiner, Silber, Sjögren, Toutain, Tsamandouras, T’jollyn, Willmann, Zhuang   +40 more
core   +3 more sources

Development of Prediction Models for Drug-Induced Cholestasis, Cirrhosis, Hepatitis, and Steatosis Based on Drug and Drug Metabolite Structures

Frontiers in Pharmacology, 2020
Drug-induced liver injury (DILI) is one of the major reasons for termination of drug development. Due to the importance of predicting DILI in early phases of drug development, diverse in silico models have been developed to filter out DILI-causing ...
Hyun Kil Shin, Myung-Gyun Kang, Daeui Park, Daeui Park, Tamina Park, Tamina Park, Seokjoo Yoon, Seokjoo Yoon   +7 more
doaj   +1 more source

Agent-based modeling: a systematic assessment of use cases and requirements for enhancing pharmaceutical research and development productivity. [PDF]

, 2013
A crisis continues to brew within the pharmaceutical research and development (R&D) enterprise: productivity continues declining as costs rise, despite ongoing, often dramatic scientific and technical advances. To reverse this trend, we offer various
Hunt, C. Anthony, Hunt, CA, Kennedy, RC, Kim, SHJ, Ropella, GEP   +4 more
core   +2 more sources

Modeling and insights into the structural characteristics of drug-induced autoimmune diseases

Frontiers in Immunology, 2022
The incidence and complexity of drug-induced autoimmune diseases (DIAD) have been on the rise in recent years, which may lead to serious or fatal consequences. Besides, many environmental and industrial chemicals can also cause DIAD.
Huizhu Guo, Peitao Zhang, Ruiqiu Zhang, Yuqing Hua, Pei Zhang, Xueyan Cui, Xin Huang, Xiao Li, Xiao Li   +8 more
doaj   +1 more source

QSAR study for carcinogenicity in a large set of organic compounds [PDF]

, 2012
In our continuing efforts to find out acceptable Absorption, Distribution, Metabolization, Elimination and Toxicity (ADMET) properties of organic compounds, we establish linear QSAR models for the carcinogenic potential prediction of 1464 compounds taken
Castro, Eduardo Alberto, Comelli, Nieves Carolina, Duchowicz, Pablo Román, Ortiz, Erlinda del Valle   +3 more
core   +2 more sources

Progress in computational toxicology

Journal of Pharmacological and Toxicological Methods, 2014
A poster in the ToxI division at the ACS held in SF ...
openaire   +4 more sources

Cupressus sempervirens Essential Oil: Exploring the Antibacterial Multitarget Mechanisms, Chemcomputational Toxicity Prediction, and Safety Assessment in Zebrafish Embryos

Molecules, 2022
Nowadays, increasing interest has recently been given to the exploration of new food preservatives to avoid foodborne outbreaks or food spoilage. Likewise, new compounds that substitute the commonly used synthetic food preservatives are required to ...
Sarra Akermi, Slim Smaoui, Khaoula Elhadef, Mariam Fourati, Nacim Louhichi, Moufida Chaari, Ahlem Chakchouk Mtibaa, Aissette Baanannou, Saber Masmoudi, Lotfi Mellouli   +9 more
doaj   +1 more source

A computational model of the hypothalamic - pituitary - gonadal axis in female fathead minnows (Pimephales promelas) exposed to 17α-ethynylestradiol and 17β-trenbolone [PDF]

, 2011
© 2011 Li et al; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and ...
Ankley, GT, Armstrong, B, Brian, JV, Denslow, ND, Jensen, KM, Kostich, M, Kroll, KJ, Lazorchak, JM, Li, Z, Orlando, EF, Sepúlveda, MS, Villeneuve, DL, Watanabe, KH   +12 more
core   +6 more sources

Navigating the bridge between wet and dry lab toxicology research to address current challenges with high-dimensional data

Frontiers in Toxicology, 2023
Toxicology research has rapidly evolved, leveraging increasingly advanced technologies in high-throughput approaches to yield important information on toxicological mechanisms and health outcomes. Data produced through toxicology studies are consequently
Alexis Payton, Alexis Payton, Kyle R. Roell, Kyle R. Roell, Meghan E. Rebuli, Meghan E. Rebuli, Meghan E. Rebuli, William Valdar, Ilona Jaspers, Ilona Jaspers, Ilona Jaspers, Ilona Jaspers, Julia E. Rager, Julia E. Rager, Julia E. Rager, Julia E. Rager   +15 more
doaj   +1 more source