Results 51 to 60 of about 94,628 (218)
Lorentzian Flat Lie Groups Admitting a Timelike Left-Invariant Killing Vector Field [PDF]
, 2013 We call a connected Lie group endowed with a left-invariant Lorentzian flat metric Lorentzian flat Lie group. In this Note, we determine all Lorentzian flat Lie groups admitting a timelike left-invariant Killing vector field.
Lebzioui, Hicham
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Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge. [PDF]
, 2015 The Centre for Molecular Informatics, formerly Unilever Centre for Molecular Science Informatics (UCMSI), at the University of Cambridge is a world-leading driving force in the field of cheminformatics.
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Tunable Plug‐and‐Play Meta‐Nanogenerator Materials for Multi‐Range Force Measurements
Advanced Science, EarlyView.The multifunctional and tunable meta‐nanogenerator material system combines a mechanical metamaterial and a triboelectric nanogenerator enabling self‐powered, real‐time force sensing across application‐specific ranges. Geometrical tuning adjusts stiffness and the force sensing range, while modular integration streamlines assembly.
Roshira Premadasa +6 more
wiley +1 more source
Genetic programming in data mining for drug discovery [PDF]
, 2004 Genetic programming (GP) is used to extract from rat oral bioavailability (OB) measurements simple, interpretable and predictive QSAR models which both generalise to rats and to marketed drugs in humans. Receiver Operating Characteristics (ROC) curves
Barrett, S.J., Langdon, W.B.
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Advanced Intelligent Discovery, EarlyView.This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod +10 more
wiley +1 more source
Hittite Journal of Science and Engineering, 2023 In this study, 1,3,4-thiadiazole derivatives were obtained from the reaction of benzophenone-4,4'-dicarboxylic acid and N-substitute-thiosemicarbazide compounds with each other.
Ergin Murat Altuner +8 more
doaj +1 more source
, 2009 Identifying promising compounds from a vast collection of feasible compounds is an important and yet challenging problem in the pharmaceutical industry.
Mandal, Abhyuday +2 more
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Advanced Intelligent Discovery, EarlyView.This study introduces a tree‐based machine learning approach to accelerate USP8 inhibitor discovery. The best‐performing model identified 100 high‐confidence repurposable compounds, half already approved or in clinical trials, and uncovered novel scaffolds not previously studied. These findings offer a solid foundation for rapid experimental follow‐up,
Yik Kwong Ng +4 more
wiley +1 more source
Computationally motivated synthesis and enzyme kinetic evaluation of N-(β-d-glucopyranosyl)-1,2,4-triazolecarboxamides as glycogen phosphorylase inhibitors [PDF]
, 2015 Following our recent study of N-(β-D-glucopyranosyl)-oxadiazole-carboxamides (Polyák et al., Biorg. Med. Chem. 2013, 21, 5738) revealed as moderate inhibitors of glycogen phosphorylase (GP), in silico docking calculations using Glide have been performed ...
Alex +57 more
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