Results 21 to 30 of about 13,701,591 (243)
Molecules, 2016 Ampakine compounds have been shown to reverse opiate-induced respiratory depression by activation of amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) glutamate receptors.
Dian Xiao +6 more
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Reducing the Concepts of Data Science and Machine Learning to Tools for the Bench Chemist
CHIMIA, 2019 Machine Learning and Data Science have enjoyed a renaissance due to the availability of increased computational power and larger data sets. Many questions can be now asked and answered, that previously were beyond our scope.
Richard A. Lewis +3 more
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Proceedings of the 23rd Conference on Formal Methods in Computer-Aided Design – FMCAD 2023 [PDF]
, 2023 The Conference on Formal Methods in Computer-Aided Design (FMCAD) is an annual conference on the theory and applications of formal methods in hardware and system in academia and industry for presenting and discussing groundbreaking methods, technologies,
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Proceedings of the 25th Conference on Formal Methods in Computer-Aided Design, FMCAD 2025 [PDF]
The Conference on Formal Methods in Computer-Aided Design (FMCAD) is an annual conference on the theory and applications of formal methods in hardware and system verification.
Formal Methods in Computer Aided Design
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Molecules, 2014 A series of 1-aryl-3-(2H-chromen-5-yl)urea and 1-aryl-3-(chroman-5-yl)urea derivatives were designed, synthesized and evaluated for their inhibitory activities towards TNF-α production in lipopolysaccharide-stimulated THP-1 cells.
Xingzhou Li +7 more
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Journal of Cheminformatics, 2020 In the past two decades a lot of different formats for molecules and reactions have been created. These formats were mostly developed for the purposes of identifiers, representation, classification, analysis and data exchange.
Victorien Delannée, Marc C. Nicklaus
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The roles of computer-aided drug synthesis in drug development
Green Synthesis and Catalysis, 2022 With the improvements in computer computing ability, data accumulation and rapid algorithm development, the integration of artificial intelligence (AI) and drug synthesis has been accelerated, significantly improving the design and synthesis of drug ...
Pengfei Jia +6 more
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Caffeic Acid in Spent Coffee Grounds as a Dual Inhibitor for MMP-9 and DPP-4 Enzymes
Molecules, 2023 Type 2 diabetes mellitus and diabetic foot ulcers remain serious worldwide health problems. Caffeic acid is one of the natural products that has been experimentally proven to have diverse pharmacological properties.
Enade P. Istyastono +6 more
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Small Molecule Targeting of Protein–Protein Interactions through Allosteric Modulation of Dynamics
Molecules, 2015 The protein–protein interaction (PPI) target class is particularly challenging, but offers potential for “first in class” therapies. Most known PPI small molecules are orthosteric inhibitors but many PPI sites may be fundamentally intractable to this ...
Benjamin P. Cossins +1 more
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Computer-Aided Conceptual Design Through TRIZ-based Manipulation of Topological Optimizations [PDF]
, 2009 Organised by: Cranfield UniversityIn a recent project the authors proposed the adoption of Optimization Systems [1] as a bridging element between Computer-Aided Innovation (CAI) and PLM to identify geometrical contradictions [2], a particular case of ...
Cascini, G. +3 more
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