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Machine learning predictions of factors affecting the activity of heterogeneous metal catalysts

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Tthe 255th ACS (American Chemical Society) National Meeting, New Orleans, LA, March 18-22, 2018.

https://global.acs.org/events/255th-acs-national-meeting-exposition/

PAPER ID: 2868020
PAPER TITLE: Machine learning predictions of factors affecting the activity of heterogeneous metal catalysts (final paper number: CATL 17)

DIVISION: Division of Catalysis Science and Technology
SESSION: Machine Learning for Catalysis Research
SESSION TIME: 8:00 AM - 12:00 PM

PRESENTATION FORMAT: Oral
DAY & TIME OF PRESENTATION: Sunday, March, 18, 2018 from 8:20 AM - 8:40 AM
ROOM & LOCATION: Riverside III - Hampton Inn & Suites Convention Center

Published in: Science
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Machine learning predictions of factors affecting the activity of heterogeneous metal catalysts

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  5. 5. Fe Co Ni Cu Ru Rh Pd Ag Ir Pt Au Fe -0.92 -0.96 -0.97 -1.65 -1.64 -2.24 -1.87 -2.4 -3.11 Co -1.37 -1.23 -2.12 -2.82 -2.53 -2.26 -3.56 Ni -0.33 -1.18 -1.92 -2.03 -2.43 -2.15 -2.82 -3.39 Cu -2.42 -2.49 -2.67 -2.89 -2.94 -3.82 -4.63 Ru -1.11 -1.04 -1.12 -1.41 -1.88 -1.81 -1.54 -2.27 Rh -1.42 -1.32 -1.51 -1.7 -1.73 -2.12 -1.81 -1.7 -2.18 -2.3 Pd -1.47 -1.29 -1.29 -1.03 -1.58 -1.83 -1.68 -1.52 -1.79 Ag -3.75 -3.56 -3.62 -3.8 -4.03 -3.5 -3.93 -4.51 Ir -1.78 -1.71 -1.78 -1.55 -2.14 -2.53 -2.2 -2.11 -2.6 -2.7 Pt -1.71 -1.47 -2.13 -2.01 -2.23 -2.06 -1.96 -2.33 Au -3.03 -2.82 -2.85 -2.89 -3.44 -3.56 Fe Co Ni Cu Ru Rh Pd Ag Ir Pt Au Fe -0.78 -1.65 -1.64 -1.87 Co -1.18 -1.17 -1.37 -1.87 -2.12 -2.82 -2.26 Ni -0.33 -1.18 -1.17 -2.61 -2.43 -2.15 -2.82 Cu -2.42 -2.89 -2.94 -3.88 -4.63 Ru -1.11 -1.04 -1.12 -1.11 -1.41 -1.81 -2.27 Rh -1.42 -1.51 -2.12 -1.81 -1.7 Pd -1.29 -1.29 -1.03 -1.58 -1.83 -1.52 -1.79 Ag -3.68 -3.8 -3.63 -4.51 Ir -2.14 -2.11 -2.7 Pt -1.71 -1.47 -2.13 -2.01 -2.23 -2.06 Au -2.86 -3.09 -2.89 -3.44 -3.56 Fe Co Ni Cu Ru Rh Pd Ag Ir Pt Au Fe -2.17 -3.11 Co -1.17 -1.37 -2.12 Ni -0.33 -1.18 -2.61 -2.43 Cu -2.42 -2.29 -2.49 -3.71 -4.63 Ru -2.02 Rh -1.32 -1.73 -2.12 Pd -1.94 -1.83 -1.97 Ag -3.75 -3.68 -4.51 Ir -1.78 -1.71 -2.7 Pt -2.13 Au -3.09 -2.89 
 
 

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 Fe Co Ni Cu Ru Rh Pd Ag Ir Pt Au Fe -0.78 -1.65 -1.64 -1.87 Co -1.18 -1.17 -1.37 -1.87 -2.12 -2.82 -2.26 Ni -0.33 -1.18 -1.17 -2.61 -2.43 -2.15 -2.82 Cu -2.42 -2.89 -2.94 -3.88 -4.63 Ru -1.11 -1.04 -1.12 -1.11 -1.41 -1.81 -2.27 Rh -1.42 -1.51 -2.12 -1.81 -1.7 Pd -1.29 -1.29 -1.03 -1.58 -1.83 -1.52 -1.79 Ag -3.68 -3.8 -3.63 -4.51 Ir -2.14 -2.11 -2.7 Pt -1.71 -1.47 -2.13 -2.01 -2.23 -2.06 Au -2.86 -3.09 -2.89 -3.44 -3.56
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  9. 9. ⇡ ⇡ y x1 x2 y x1 x2 x1 x2 ˆy y = sin ✓q x2 1 + x2 2 ◆ y = sin ✓q x2 1 + x2 2 ◆ = + + + ... x1 x2 ˆy c1 c2 c3 c1 c2 c3
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