Journal ArticleDOI
In silico toxicity as a tool for harm reduction: A study of new psychoactive amphetamines and cathinones in the context of criminal science.
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TLDR
Computer-calculated toxicity values of various amphetamines and cathinones are submitted to an unsupervised multivariate analysis, namely Principal Component Analysis (PCA), and to the supervised techniques Soft Independent Modeling of Class Analogy and Partial Least Square-Discriminant Analysis to evaluate how these two NPS groups behave.About:
This article is published in Science & Justice.The article was published on 2019-05-01. It has received 3 citations till now. The article focuses on the topics: Poison control.read more
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Screening of Synthetic Cathinones by Potentiometric Sensor Array and Chemometrics
TL;DR: In this article , the analytical applicability of single ion-selective membranes (ISMs) and potentiometric sensor array to distinguish and detect cathinone derivatives was demonstrated.
References
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Book
Chemometrics: A Practical Guide
TL;DR: The Six Habits of an Effective Chemometrician and its Applications: Pattern Recognition, Multivariate Calibration and Prediction.
Journal ArticleDOI
Prediction of Physicochemical Parameters by Atomic Contributions
TL;DR: A new atom type classification system for use in atom-based calculation of partition coefficient (log P) and molar refractivity (MR) designed in part to address published concerns of previous atomic methods is presented.
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Plasma membrane monoamine transporters: structure, regulation and function
TL;DR: The classical biogenic amine neurotransmitters — dopamine, noradrenaline, and 5-hydroxytryptamine — control a variety of functions including locomotion, autonomic function, hormone secretion, and the complex behaviours that are associated with affect, emotion and reward.
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Machine Learning and Data Mining Methods in Diabetes Research.
Ioannis Kavakiotis,O. Tsave,Athanasios Salifoglou,Nicos Maglaveras,Ioannis Vlahavas,Ioanna Chouvarda +5 more
TL;DR: A systematic review of the applications of machine learning, data mining techniques and tools in the field of diabetes research with respect to a) Prediction and Diagnosis, b) Diabetic Complications, c) Genetic Background and Environment, and e) Health Care and Management with the first category appearing to be the most popular.
Journal ArticleDOI
New insights into the mechanism of action of amphetamines.
TL;DR: New insights are obtained into the molecular mechanisms whereby amphetamine, and the closely related compounds methamphetamine and methylenedioxymethamphetamine, cause monoamine, and particularly dopamine, release, which have potential implications for both amphetamine- and methamphetamine-induced neurotoxicity, as well as dopaminergic neurodegenerative diseases.