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| 1 | Machine-learned multi-system surrogate models for materials prediction显示文摘Surrogate machine-learning models are transforming computational materials science by predicting properties of materials with the accuracy of ab initio methods at a fraction of the computational cost.We demonstrate surrogate models that simultaneously interpolate energies of different materials on a dataset of 10 binary alloys(AgCu,AlFe,AlMg,AlNi,AlTi,CoNi,CuFe,CuNi,FeV,and NbNi)with 10 different species and all possible fcc,bcc,and hcp structures up to eight atoms in the unit cell,15,950 structures in total.We find that the deviation of prediction errors when increasing the number of simultaneously modeled alloys is<1 meV/atom.Several state-of-the-art materials representations and learning algorithms were found to qualitatively agree on the prediction errors of formation enthalpy with relative errors of<2.5% for all systems. | Chandramouli Nyshadham Matthias Rupp Brayden Bekker Alexander V.Shapeev Tim Mueller Conrad W.Rosenbrock Gábor Csányi David W.Wingate Gus L.W.Hart | 2019 | npj Computational Materials2019，，1： | 8 |
| 2 | Iontophoresis enhanced absorptive flux of polar molecules across intestinal tissue in vitro 显示文摘 | Leonard M Creed E Brayden D | 2000 | Pharmaceutical Research2000，17，4： | 1 |
| 3 | Calcium- activated potassium channels and the regulation of vascular tone显示文摘 | Ledoux J Werner ME Brayden JE | 2006 | Physiology2006，21，1： | 1 |
| 4 | Evaluation of the Caco-2 monolayer as a model epithelium for iontophoretic transport 显示文摘 | Leonard M Creed E Brayden D | 2000 | Pharmaceutical Research2000，17，10： | 1 |
| 5 | Controlled release technologies for drug delivery显示文摘 | David J Brayden | 2003 | Drug Discovery Today2003，，21： | 1 |
| 6 | Heparin absorption across the intestine:effects of sodium N-caprylate in rat in situ intestinal instillations and in caco-2 monolayers显示文摘 | Creed E Connell AO | 1997 | Pharm Res1997，14，12： | 1 |
| 7 | Arterial dilations in response to calcitonin gene-related peptide involve activation of K^+ channel显示文摘 | Nelson MT Huang Y Brayden JE | 1990 | Nature1990，344，6268： | 1 |
| 8 | Transient receptor potential channels in the vasculature显示文摘 | Earley S Brayden JE | 2015 | Physiol Rev2015，95，2： | 1 |
| 9 | Regulation of arterial tone by activation of calcium- dependent potassium channels 显示文摘 | Brayden JE Nelson MT | 1999 | Science1999，24，5056： | 1 |
| 10 | Membrane hyperpolarization is a mechanism of vendothelium-dependent cerebral vasodilation 显示文摘 | Brayden JE | 1990 | American Journal of Physiology1990，259，： | 1 |
| 11 | Calcium-activated potassium channels and the regulation of vascular tone显示文摘 | Ledoux J Werner ME Brayden JE | 2006 | Physiology(Bethesda)2006，21，： | 1 |
| 12 | Activation of K channels is involved in arterial dilations to calcitonin generelated peptide显示文摘 | Nelson MT Huang Y Brayden JE | 1990 | Nature1990，344，6268： | 1 |
| 13 | Regulation of arterial tone by activation of calcium-dependent potassium channels显示文摘 | Brayden JE Nelson MT | 1992 | Science1992，256，5056： | 1 |
| 14 | Melittin as an Epithelial Permeability Enhancer I: Investigation of Its Mechanism of Action in Caco-2 Monolayers显示文摘 | Sam Maher Linda Feighery David J. Brayden Siobhán McClean | 2007 | Pharmaceutical Research2007，，7： | 1 |
| 15 | Calcium-activated potassium channels and the regulation of vascular tone 显示文摘 | Ledoux J Werner ME Brayden JE Nelson MT | 2006 | Physiology2006，21，1： | 1 |
| 16 | Melittin as an Epithelial Permeability Enhancer Ⅰ: Investigation of Its Mechanism of Action in Caco-2 Monolayers显示文摘 | Maher S Feighery L Brayden DJ | 2007 | Pharrnaeeut Res2007，24，7： | 1 |
| 17 | Calcium-activated potas- sium channels and the regulation of vascular tone显示文摘 | Ledoux J Werner ME Brayden JE | 2006 | Physiology2006，21，1： | 1 |
| 18 | Oral vaccination in man using antigens in particles:current status 显示文摘 | Brayden DJ | 2001 | European Journal of Pharmaceutical Sciences2001，14，3： | 1 |
| 19 | Apical membrane receptors on intestinal M cells:potential targets for vaccine delivery显示文摘 | Brayden DJ Bsird AW | 2004 | Adv Drug Deliv Rev2004，56，： | 1 |
| 20 | Calcium-activated potassium channels and the regulation of vascular tone显示文摘 | Ledoux J Werner ME Brayden JE | | 0，，： | 1 |
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