Sequence-based drug-target affinity prediction using weighted graph neural networks
BMC Genomics, 2022 Background Affinity prediction between molecule and protein is an important step of virtual screening, which is usually called drug-target affinity (DTA) prediction. Its accuracy directly influences the progress of drug development.
Mingjian Jiang +5 more
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Application of Thermal Analysis to Evaluate Pharmaceutical Preparations Containing Theophylline
Pharmaceuticals, 2022 Confirmation of the composition of pharmaceutical products is an essential pharmaceutical issue. The purity and identity of active pharmaceutical ingredients (API) in the finished drug impact the effect of correct and safe pharmacotherapy.
Paweł Ramos
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Systematic Reviews, 2012 Background Challenges exist when searching for diagnostic test accuracy (DTA) studies that include the design of DTA search strategies and selection of appropriate filters.
Mann Rachel, Gilbody Simon M
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Dressed tunneling approximation for electronic transport through molecular transistors [PDF]
, 2014 A theoretical approach for the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented.
Martín-Rodero, A. +3 more
core +2 more sources
Differential thermal analysis and solution growth of intermetallic compounds [PDF]
, 2005 To obtain single crystals by solution growth, an exposed primary solidification surface in the appropriate, but often unknown, equilibrium alloy phase diagram is required.
Angst, M. +4 more
core +4 more sources
Fricke and polymer gel 2D dosimetry validation using Monte Carlo simulation [PDF]
, 2016 Complexity in modern radiotherapy treatments demands advanced dosimetry systems for quality control. These systems must have several characteristics, such as high spatial resolution, tissue equivalence, three-dimensional resolution, and dose-integrating ...
Chacón Obando, D. +12 more
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Bismuth oxide based ceramics with improved electrical and mechanical properties: Part II. Structural and mechanical properties [PDF]
, 1988 Coprecipitation as a method of preparation for bismuth oxides based ceramics yields relatively strong and machineable materials in comparison with the solid state reaction.
Burggraaf, A.J. +4 more
core +3 more sources
Material tracking with dynamic torque adaptation for tension control in wire rod mill [PDF]
, 2017 Material tracking is an important part of the automation control system which has a major impact on the product quality. This paper addresses a stand load identification in wire rod mill as a new algorithm added to existing control system.
Borovský, Tomáš +2 more
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Detecting circumbinary planets using eclipse timing of binary stars - numerical simulations [PDF]
, 2010 The presence of a body in an orbit around a close eclipsing binary star manifests itself through the light time effect influencing the observed times of eclipses as the close binary and the circumbinary companion both move around the common centre of ...
Alonso +19 more
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DTA measurements in the ternary Ag-Au-Ga system [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2020 In this work, the ternary Ag-Au-Ga system was studied experimentally by differential thermal analysis (DTA). The measurements were carried out along two chosen cross-sections determined by the ratio of mole fractions XAg/XGa=1:1 and XAu/XGa=1:1 by ...
Jendrzejczyk-Handzlik D., Handzlik P.
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