Results 21 to 30 of about 13,567 (237)

Virtual Extensive Read-Across: A New Open-Access Software for Chemical Read-Across and Its Application to the Carcinogenicity Assessment of Botanicals

Molecules, 2022
Read-across applies the principle of similarity to identify the most similar substances to represent a given target substance in data-poor situations. However, differences between the target and the source substances exist.
Edoardo Luca Viganò, Erika Colombo, Giuseppa Raitano, Alberto Manganaro, Alessio Sommovigo, Jean Lou CM Dorne, Emilio Benfenati   +6 more
doaj   +1 more source

Identifying chemicals based on receptor binding/bioactivation/mechanistic explanation associated with potential to elicit hepatotoxicity and to support structure activity relationship-based read-across

Current Research in Toxicology, 2023
The liver is the most common target organ in toxicology studies. The development of chemical structural alerts for identifying hepatotoxicity will play an important role in in silico model prediction and help strengthen the identification of analogs used
Shengde Wu, George Daston, Jane Rose, Karen Blackburn, Joan Fisher, Allison Reis, Bastian Selman, Jorge Naciff   +7 more
doaj   +1 more source

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

An alerting structure: human orexin receptor 1

Nature Structural & Molecular Biology, 2016
[No abstract available]
Daniel, Wacker, Bryan L, Roth
openaire   +3 more sources

Feature Selection Using Information Gain for Improved Structural-Based Alert Correlation. [PDF]

PLoS ONE, 2016
Grouping and clustering alerts for intrusion detection based on the similarity of features is referred to as structurally base alert correlation and can discover a list of attack steps.
Taqwa Ahmed Alhaj, Maheyzah Md Siraj, Anazida Zainal, Huwaida Tagelsir Elshoush, Fatin Elhaj   +4 more
doaj   +1 more source

Bedside check of medication appropriateness (BED-CMA) as a risk-based tool for bedside clinical pharmacy services: A proof-of-concept study at the trauma surgery ward

Computational and Structural Biotechnology Journal, 2023
Background: Bedside clinical pharmacy prevents drug-related problems, but is not feasible in many countries due to limited resources. Hence, clinical rules using structural information in the electronic health record can help identifying potentially ...
Greet Van De Sijpe, Wencke Hublou, Peter Declercq, Willem-Jan Metsemakers, An Sermon, Minne Casteels, Veerle Foulon, Charlotte Quintens, Isabel Spriet   +8 more
doaj   +1 more source

checkCIF validation ALERTS: what they mean and how to respond

Acta Crystallographica Section E: Crystallographic Communications, 2020
Authors of a paper that includes a new crystal-structure determination are expected to not only report the structural results of interest and their interpretation, but are also expected to archive in computer-readable CIF format the experimental data on ...
Anthony L. Spek
doaj   +1 more source

Prediction and mechanistic analysis of drug-induced liver injury (DILI) based on chemical structure

Biology Direct, 2021
Background Drug-induced liver injury (DILI) is a major safety concern characterized by a complex and diverse pathogenesis. In order to identify DILI early in drug development, a better understanding of the injury and models with better predictivity are ...
Anika Liu, Moritz Walter, Peter Wright, Aleksandra Bartosik, Daniela Dolciami, Abdurrahman Elbasir, Hongbin Yang, Andreas Bender   +7 more
doaj   +1 more source

Counterfeit medicines in Peru: a retrospective review (1997–2014)

BMJ Open, 2016
Objective To consolidate and assess information on counterfeit medicines subject to pharmaceutical alerts issued by the Peruvian Medicines Regulatory Authority over 18 years (1997–2014) of health monitoring and enforcement.Design A retrospective review ...
Edwin Medina, Elvira Bel, Josep María Suñé   +2 more
doaj   +1 more source

Modeling and insights into the structural characteristics of endocrine-disrupting chemicals

Ecotoxicology and Environmental Safety, 2023
Endocrine-disrupting chemicals (EDCs) can cause serious harm to human health and the environment; therefore, it is important to rapidly and correctly identify EDCs.
Ruiqiu Zhang, Bailun Wang, Ling Li, Shengjie Li, Huizhu Guo, Pei Zhang, Yuqing Hua, Xueyan Cui, Yan Li, Yan Mu, Xin Huang, Xiao Li   +11 more
doaj   +1 more source