Toxicological sciences : an official journal of the Society of Toxicology
Jul 21, 2015
Acetylcholinesterase (AChE), a serine hydrolase vital for regulating the neurotransmitter acetylcholine in animals, has been used as a target for drugs and pesticides. With the increasing availability of AChE crystal structures, with or without ligan...
The Arden Syntax originated in the 1980's, when several knowledge-based systems began to show promise, but researchers recognized the burden of recreating these systems at every institution. Derived initially from Health Evaluation through Logical Pr...
Medical & biological engineering & computing
Jun 17, 2015
Tuberculosis is a major global health problem that has been ranked as the second leading cause of death from an infectious disease worldwide, after the human immunodeficiency virus. Diagnosis based on cultured specimens is the reference standard; how...
Clinica chimica acta; international journal of clinical chemistry
Jun 15, 2015
BACKGROUND: Familial hypercholesterolaemia (FH) is the most common monogenic cause of premature atherosclerotic cardiovascular disease (CVD). However, most individuals with FH remain undiagnosed. We sought to determine if an expert system (ES) at a c...
SAR and QSAR in environmental research
May 13, 2015
This report describes development of an in silico, expert rule-based method for the classification of chemicals into irritants or non-irritants to eye, as defined by the Draize test. This method was developed to screen data-poor cosmetic ingredient c...
BACKGROUND AND PURPOSE: Culprit coronary artery assessment in the triage ECG of patients with suspected acute coronary syndrome (ACS) is relevant a priori knowledge preceding percutaneous coronary intervention (PCI). We compared a model-based automat...
Computational and mathematical methods in medicine
May 4, 2015
The present study evaluated the diagnostic accuracy of immune system algorithms with the aim of classifying the primary types of headache that are not related to any organic etiology. They are divided into four types: migraine, tension, cluster, and ...
Expert opinion plays an important role when choosing clusters of chemical compounds for further investigation. Often, the process by which the clusters are assigned to the experts for evaluation, the so-called selection process, and the qualitative r...
Journal of chemical information and modeling
Feb 3, 2015
A generic chemical transformation may often be achieved under various synthetic conditions. However, for any specific reagents, only one or a few among the reported synthetic protocols may be successful. For example, Michael β-addition reactions may ...
Regulatory toxicology and pharmacology : RTP
Dec 26, 2014
(Quantitative) structure activity relationship [(Q)SAR] modeling is the primary tool used to evaluate the mutagenic potential associated with drug impurities. General recommendations regarding the use of (Q)SAR in regulatory decision making have rece...