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	Provedor de dados ArchiMer (1) BJPS (1) Autor Brito,Monique Araújo de (1) Jaeggi, Oliver (1) Kondić, Todor (1) Kovalova, Lubomira (1) Lai, Adelene (1) Schymanski, Emma L. (1) Singh, Randolph (1) Mais... Palavra-chave Cheminformatics (2) Drugs/molecular properties (1) Drugs/teaching (1) Identification (1) Medicinal chemistry/teaching-learning process (1) Micropollutants (1) Monitoring (1) Non-target analysis (1) Pharmacokinetics/teaching (1) Pharmacy/education (1) Regulation (1) Retrospective (1) Suspect screening (1) Wastewater (1) Mais... Tipo do documento Info:eu-repo/semantics/article (1) Text (1) Ano 2021 (1) 2011 (1) País Brazil (1) France (1) Idioma Inglês (2)		Ordenar por:  Relevância Autor Título Ano Registros recuperados: 2 Primeira ... 1 ... Última Pharmacokinetic study with computational tools in the medicinal chemistry course BJPS Brito,Monique Araújo de. To improve the teaching-learning process in the Medicinal Chemistry course, new strategies have been incorporated into practical classes of this fundamental discipline of the pharmaceutical curriculum. Many changes and improvements have been made in the area of medicinal chemistry so far, and students should be prepared for these new approaches with the use of technological resources in this field. Practical activities using computational techniques have been directed to the evaluation of chemical and physicochemical properties that affect the pharmacokinetics of drugs. Their objectives were to allow students to know these tools, to learn how to access them, to search for the structures of drugs and to analyze results. To the best of our knowledge, this is... Tipo: Info:eu-repo/semantics/article Palavras-chave: Medicinal chemistry/teaching-learning process; Pharmacy/education; Cheminformatics; Pharmacokinetics/teaching; Drugs/molecular properties; Drugs/teaching. Ano: 2011 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502011000400017 Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows ArchiMer Lai, Adelene; Singh, Randolph; Kovalova, Lubomira; Jaeggi, Oliver; Kondić, Todor; Schymanski, Emma L.. Background Applying non-target analysis (NTA) in regulatory environmental monitoring remains challenging—instead of having exploratory questions, regulators usually already have specific questions related to environmental protection aims. Additionally, data analysis can seem overwhelming because of the large data volumes and many steps required. This work aimed to establish an open in silico workflow to identify environmental chemical unknowns via retrospective NTA within the scope of a pre-existing Swiss environmental monitoring campaign focusing on industrial chemicals. The research question addressed immediate regulatory priorities: identify pollutants with industrial point sources occurring at the highest intensities over two time points. Samples from... Tipo: Text Palavras-chave: Non-target analysis; Suspect screening; Retrospective; Wastewater; Micropollutants; Cheminformatics; Identification; Monitoring; Regulation. Ano: 2021 URL: https://archimer.ifremer.fr/doc/00689/80141/83195.pdf Registros recuperados: 2 Primeira ... 1 ... Última

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