-
1
-
-
81255158420
-
Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art
-
Potyrailo, R.; Rajan, K.; Stoewe, K.; Takeuchi, I.; Chisholm, B.; Lam, H. Combinatorial and High-Throughput Screening of Materials Libraries: Review of State of the Art ACS Comb. Sci. 2011, 13, 579-633 10.1021/co200007w
-
(2011)
ACS Comb. Sci.
, vol.13
, pp. 579-633
-
-
Potyrailo, R.1
Rajan, K.2
Stoewe, K.3
Takeuchi, I.4
Chisholm, B.5
Lam, H.6
-
2
-
-
0000065423
-
Combinatorial Synthesis and High Throughput Evaluation of Functional Oxides - An Integrated Materials Chip Approach
-
Xiang, X. D. Combinatorial Synthesis and High Throughput Evaluation of Functional Oxides-An Integrated Materials Chip Approach Mater. Sci. Eng., B 1998, 56, 246-250 10.1016/S0921-5107(98)00221-9
-
(1998)
Mater. Sci. Eng., B
, vol.56
, pp. 246-250
-
-
Xiang, X.D.1
-
3
-
-
84938927649
-
Materials Design On-the-fly
-
Cerqueira, T. F. T.; Sarmiento-Perez, R.; Amsler, M.; Nogueira, F.; Botti, S.; Marques, M. A. L. Materials Design On-the-fly J. Chem. Theory Comput. 2015, 11, 3955-3960 10.1021/acs.jctc.5b00212
-
(2015)
J. Chem. Theory Comput.
, vol.11
, pp. 3955-3960
-
-
Cerqueira, T.F.T.1
Sarmiento-Perez, R.2
Amsler, M.3
Nogueira, F.4
Botti, S.5
Marques, M.A.L.6
-
4
-
-
84875458397
-
The High-Throughput Highway to Computational Materials Design
-
Curtarolo, S.; Hart, G. L. W.; Nardelli, M. B.; Mingo, N.; Sanvito, S.; Levy, O. The High-Throughput Highway to Computational Materials Design Nat. Mater. 2013, 12, 191-201 10.1038/nmat3568
-
(2013)
Nat. Mater.
, vol.12
, pp. 191-201
-
-
Curtarolo, S.1
Hart, G.L.W.2
Nardelli, M.B.3
Mingo, N.4
Sanvito, S.5
Levy, O.6
-
5
-
-
84861059886
-
Quantitative Structure-Property Relationship Modeling of Diverse Materials Properties
-
Le, T.; Epa, V. C.; Burden, F. R.; Winkler, D. A. Quantitative Structure-Property Relationship Modeling of Diverse Materials Properties Chem. Rev. 2012, 112, 2889-2919 10.1021/cr200066h
-
(2012)
Chem. Rev.
, vol.112
, pp. 2889-2919
-
-
Le, T.1
Epa, V.C.2
Burden, F.R.3
Winkler, D.A.4
-
6
-
-
0027640931
-
Genetic Algorithms - Principles of Natural-Selection Applied to Computation
-
Forrest, S. Genetic Algorithms-Principles of Natural-Selection Applied to Computation Science 1993, 261, 872-878 10.1126/science.8346439
-
(1993)
Science
, vol.261
, pp. 872-878
-
-
Forrest, S.1
-
10
-
-
42449107423
-
The Synergy between Combinatorial Chemistry and High-Throughput Screening
-
Diller, D. J. The Synergy between Combinatorial Chemistry and High-Throughput Screening Curr. Opin Drug Discovery 2008, 11, 346-355
-
(2008)
Curr. Opin Drug Discovery
, vol.11
, pp. 346-355
-
-
Diller, D.J.1
-
11
-
-
80052094845
-
The Rise, Fall and Reinvention of Combinatorial Chemistry
-
Kodadek, T. The Rise, Fall and Reinvention of Combinatorial Chemistry Chem. Commun. 2011, 47, 9757-9763 10.1039/c1cc12102b
-
(2011)
Chem. Commun.
, vol.47
, pp. 9757-9763
-
-
Kodadek, T.1
-
12
-
-
84924787758
-
Synthesis of Many Different Types of Organic Small Molecules using One Automated Process
-
Li, J. Q.; Ballmer, S. G.; Gillis, E. P.; Fujii, S.; Schmidt, M. J.; Palazzolo, A. M. E.; Lehmann, J. W.; Morehouse, G. F.; Burke, M. D. Synthesis of Many Different Types of Organic Small Molecules using One Automated Process Science 2015, 347, 1221-1226 10.1126/science.aaa5414
-
(2015)
Science
, vol.347
, pp. 1221-1226
-
-
Li, J.Q.1
Ballmer, S.G.2
Gillis, E.P.3
Fujii, S.4
Schmidt, M.J.5
Palazzolo, A.M.E.6
Lehmann, J.W.7
Morehouse, G.F.8
Burke, M.D.9
-
13
-
-
0031552362
-
Development and Validation of a Genetic Algorithm for Flexible Docking
-
Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. Development and Validation of a Genetic Algorithm for Flexible Docking J. Mol. Biol. 1997, 267, 727-748 10.1006/jmbi.1996.0897
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
14
-
-
34250856350
-
Conformational Coverage by a Genetic Algorithm: Saturation of Conformational Space
-
Pavlov, T.; Todorov, M.; Stoyanova, G.; Schmieder, P.; Aladjov, H.; Serafimova, R.; Mekenyan, O. Conformational Coverage By a Genetic Algorithm: Saturation of Conformational Space J. Chem. Inf. Model. 2007, 47, 851-863 10.1021/ci700014h
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 851-863
-
-
Pavlov, T.1
Todorov, M.2
Stoyanova, G.3
Schmieder, P.4
Aladjov, H.5
Serafimova, R.6
Mekenyan, O.7
-
16
-
-
54349105915
-
Prediction of Human Intestinal Absorption by GA Feature Selection and Support Vector Machine Regression
-
Yan, A.; Wang, Z.; Cai, Z. Prediction of Human Intestinal Absorption by GA Feature Selection and Support Vector Machine Regression Int. J. Mol. Sci. 2008, 9, 1961-1976 10.3390/ijms9101961
-
(2008)
Int. J. Mol. Sci.
, vol.9
, pp. 1961-1976
-
-
Yan, A.1
Wang, Z.2
Cai, Z.3
-
17
-
-
0030203970
-
Evolutionary Algorithms in Computer-aided Molecular Design
-
Clark, D. E.; Westhead, D. R. Evolutionary Algorithms in Computer-aided Molecular Design J. Comput.-Aided Mol. Des. 1996, 10, 337-358 10.1007/BF00124503
-
(1996)
J. Comput.-Aided Mol. Des.
, vol.10
, pp. 337-358
-
-
Clark, D.E.1
Westhead, D.R.2
-
18
-
-
84902158668
-
Perspective: Crystal Structure Prediction at High Pressures
-
Wang, Y. C.; Ma, Y. M. Perspective: Crystal Structure Prediction at High Pressures J. Chem. Phys. 2014, 140, 040901 10.1063/1.4861966
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 040901
-
-
Wang, Y.C.1
Ma, Y.M.2
-
19
-
-
84900021972
-
The Metallization and Superconductivity of Dense Hydrogen Sulfide
-
Li, Y. W.; Hao, J.; Liu, H. Y.; Li, Y. L.; Ma, Y. M. The Metallization and Superconductivity of Dense Hydrogen Sulfide J. Chem. Phys. 2014, 140, 174712 10.1063/1.4874158
-
(2014)
J. Chem. Phys.
, vol.140
, pp. 174712
-
-
Li, Y.W.1
Hao, J.2
Liu, H.Y.3
Li, Y.L.4
Ma, Y.M.5
-
20
-
-
84937970694
-
A Bright Future for Evolutionary Methods in Drug Design
-
Le, T. C.; Winkler, D. A. A Bright Future for Evolutionary Methods in Drug Design ChemMedChem 2015, 10, 1296-1300 10.1002/cmdc.201500161
-
(2015)
ChemMedChem
, vol.10
, pp. 1296-1300
-
-
Le, T.C.1
Winkler, D.A.2
-
21
-
-
61549123642
-
Genetic Algorithms, a Nature-inspired Tool: Survey of Applications in Materials Science and Related Fields
-
Paszkowicz, W. Genetic Algorithms, a Nature-inspired Tool: Survey of Applications in Materials Science and Related Fields Mater. Manuf. Processes 2009, 24, 174-197 10.1080/10426910802612270
-
(2009)
Mater. Manuf. Processes
, vol.24
, pp. 174-197
-
-
Paszkowicz, W.1
-
22
-
-
84880464649
-
Genetic Algorithms, a Nature-inspired Tool: Survey of Applications in Materials Science and Related Fields: Part II
-
Paszkowicz, W. Genetic Algorithms, a Nature-inspired Tool: Survey of Applications in Materials Science and Related Fields: Part II Mater. Manuf. Processes 2013, 28, 708-725 10.1080/10426914.2012.746707
-
(2013)
Mater. Manuf. Processes
, vol.28
, pp. 708-725
-
-
Paszkowicz, W.1
-
24
-
-
28944454561
-
Ant Colony Optimization: Introduction and Recent Trends
-
Blum, C. Ant Colony Optimization: Introduction and Recent Trends Phys. Life Rev. 2005, 2, 353-373 10.1016/j.plrev.2005.10.001
-
(2005)
Phys. Life Rev.
, vol.2
, pp. 353-373
-
-
Blum, C.1
-
26
-
-
0035892558
-
An Overview of Evolutionary Algorithms: Practical Issues and Common Pitfalls
-
Whitley, D. An Overview of Evolutionary Algorithms: Practical Issues and Common Pitfalls Inf. Software Technol. 2001, 43, 817-831 10.1016/S0950-5849(01)00188-4
-
(2001)
Inf. Software Technol.
, vol.43
, pp. 817-831
-
-
Whitley, D.1
-
28
-
-
57549088017
-
On the Suitability of Different Representations of Solid Catalysts for Combinatorial Library Design by Genetic Algorithms
-
Gobin, O. C.; Schüth, F. On the Suitability of Different Representations of Solid Catalysts for Combinatorial Library Design by Genetic Algorithms J. Comb. Chem. 2008, 10, 835-846 10.1021/cc800046u
-
(2008)
J. Comb. Chem.
, vol.10
, pp. 835-846
-
-
Gobin, O.C.1
Schüth, F.2
-
29
-
-
0041698207
-
Optimization of Catalyst for Methanol Synthesis by a Combinatorial Approach using a Parallel Activity Test and Genetic Algorithm Assisted by a Neural Network
-
Umegaki, T.; Watanabe, Y.; Nukui, N.; Omata, K.; Yamada, M. Optimization of Catalyst for Methanol Synthesis by a Combinatorial Approach using a Parallel Activity Test and Genetic Algorithm Assisted by a Neural Network Energy Fuels 2003, 17, 850-856 10.1021/ef020241n
-
(2003)
Energy Fuels
, vol.17
, pp. 850-856
-
-
Umegaki, T.1
Watanabe, Y.2
Nukui, N.3
Omata, K.4
Yamada, M.5
-
30
-
-
79955628995
-
Universal Characteristics of Chemical Synthesis and Property Optimization
-
Moore, K. W.; Pechen, A.; Feng, X. J.; Dominy, J.; Beltrani, V.; Rabitz, H. Universal Characteristics of Chemical Synthesis and Property Optimization Chem. Sci. 2011, 2, 417-424 10.1039/c0sc00425a
-
(2011)
Chem. Sci.
, vol.2
, pp. 417-424
-
-
Moore, K.W.1
Pechen, A.2
Feng, X.J.3
Dominy, J.4
Beltrani, V.5
Rabitz, H.6
-
31
-
-
79957465446
-
Why is Chemical Synthesis and Property Optimization Easier than Expected?
-
Moore, K. W.; Pechen, A.; Feng, X. J.; Dominy, J.; Beltrani, V. J.; Rabitz, H. Why is Chemical Synthesis and Property Optimization Easier than Expected? Phys. Chem. Chem. Phys. 2011, 13, 10048-10070 10.1039/c1cp20353c
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 10048-10070
-
-
Moore, K.W.1
Pechen, A.2
Feng, X.J.3
Dominy, J.4
Beltrani, V.J.5
Rabitz, H.6
-
32
-
-
84878107049
-
Discovering Predictive Rules of Chemistry from Property Landscapes
-
Moore Tibbetts, K. W.; Li, R.; Pelczer, I.; Rabitz, H. Discovering Predictive Rules of Chemistry from Property Landscapes Chem. Phys. Lett. 2013, 572, 1-12 10.1016/j.cplett.2013.03.040
-
(2013)
Chem. Phys. Lett.
, vol.572
, pp. 1-12
-
-
Moore Tibbetts, K.W.1
Li, R.2
Pelczer, I.3
Rabitz, H.4
-
33
-
-
84923367417
-
Deep Neural Nets as a Method for Quantitative Structure-Activity Relationships
-
Ma, J. S.; Sheridan, R. P.; Liaw, A.; Dahl, G. E.; Svetnik, V. Deep Neural Nets as a Method for Quantitative Structure-Activity Relationships J. Chem. Inf. Model. 2015, 55, 263-274 10.1021/ci500747n
-
(2015)
J. Chem. Inf. Model.
, vol.55
, pp. 263-274
-
-
Ma, J.S.1
Sheridan, R.P.2
Liaw, A.3
Dahl, G.E.4
Svetnik, V.5
-
34
-
-
84930630277
-
Deep Learning
-
LeCun, Y.; Bengio, Y.; Hinton, G. Deep Learning Nature 2015, 521, 436-444 10.1038/nature14539
-
(2015)
Nature
, vol.521
, pp. 436-444
-
-
LeCun, Y.1
Bengio, Y.2
Hinton, G.3
-
35
-
-
70349314548
-
Comparison of Single- and Multiobjective Design of Experiment in Combinatorial Chemistry for the Selective Dehydrogenation of Propane
-
Llamas-Galilea, J.; Gobin, O. C.; Schuth, F. Comparison of Single- and Multiobjective Design of Experiment in Combinatorial Chemistry for the Selective Dehydrogenation of Propane J. Comb. Chem. 2009, 11, 907-913 10.1021/cc900061d
-
(2009)
J. Comb. Chem.
, vol.11
, pp. 907-913
-
-
Llamas-Galilea, J.1
Gobin, O.C.2
Schuth, F.3
-
36
-
-
34447305996
-
Structure and Reaction Based Evaluation of Synthetic Accessibility
-
Boda, K.; Seidel, T.; Gasteiger, J. Structure and Reaction Based Evaluation of Synthetic Accessibility J. Comput.-Aided Mol. Des. 2007, 21, 311-325 10.1007/s10822-006-9099-2
-
(2007)
J. Comput.-Aided Mol. Des.
, vol.21
, pp. 311-325
-
-
Boda, K.1
Seidel, T.2
Gasteiger, J.3
-
37
-
-
84896986847
-
Automated Design of Realistic Organometallic Molecules from Fragments
-
Foscato, M.; Occhipinti, G.; Venkatraman, V.; Alsberg, B. K.; Jensen, V. R. Automated Design of Realistic Organometallic Molecules from Fragments J. Chem. Inf. Model. 2014, 54, 767-780 10.1021/ci4007497
-
(2014)
J. Chem. Inf. Model.
, vol.54
, pp. 767-780
-
-
Foscato, M.1
Occhipinti, G.2
Venkatraman, V.3
Alsberg, B.K.4
Jensen, V.R.5
-
38
-
-
84861812807
-
A New Paradigm for Materials Discovery: Heuristics-Assisted Combinatorial Chemistry Involving Parameterization of Material Novelty
-
Park, W. B.; Shin, N.; Hong, K. P.; Pyo, M.; Sohn, K. S. A New Paradigm for Materials Discovery: Heuristics-Assisted Combinatorial Chemistry Involving Parameterization of Material Novelty Adv. Funct. Mater. 2012, 22, 2258-2266 10.1002/adfm.201102118
-
(2012)
Adv. Funct. Mater.
, vol.22
, pp. 2258-2266
-
-
Park, W.B.1
Shin, N.2
Hong, K.P.3
Pyo, M.4
Sohn, K.S.5
-
39
-
-
0036530772
-
A Fast and Elitist Multiobjective Genetic Algorithm: NSGA-II
-
Deb, K.; Pratap, A.; Agarwal, S.; Meyarivan, T. A Fast and Elitist Multiobjective Genetic Algorithm: NSGA-II IEEE Trans. Evol. Comput. 2002, 6, 182-197 10.1109/4235.996017
-
(2002)
IEEE Trans. Evol. Comput.
, vol.6
, pp. 182-197
-
-
Deb, K.1
Pratap, A.2
Agarwal, S.3
Meyarivan, T.4
-
40
-
-
33846489175
-
Improved Evolutionary Optimization from Genetically Adaptive Multimethod Search
-
Vrugt, J. A.; Robinson, B. A. Improved Evolutionary Optimization from Genetically Adaptive Multimethod Search Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 708-711 10.1073/pnas.0610471104
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 708-711
-
-
Vrugt, J.A.1
Robinson, B.A.2
-
41
-
-
0034726263
-
An Evolutionary Approach in the Combinatorial Selection and Optimization of Catalytic Materials
-
Wolf, D.; Buyevskaya, O. V.; Baerns, M. An Evolutionary Approach in the Combinatorial Selection and Optimization of Catalytic Materials Appl. Catal., A 2000, 200, 63-77 10.1016/S0926-860X(00)00643-8
-
(2000)
Appl. Catal., A
, vol.200
, pp. 63-77
-
-
Wolf, D.1
Buyevskaya, O.V.2
Baerns, M.3
-
42
-
-
0034257853
-
Ethylene and Propene by Oxidative Dehydrogenation of Ethane and Propane - Performance of Rare-Earth Oxide-Based Catalysts and Development of Redox-Type Catalytic Materials by Combinatorial Methods
-
Buyevskaya, O. V.; Wolf, D.; Baerns, M. Ethylene and Propene by Oxidative Dehydrogenation of Ethane and Propane-Performance of Rare-Earth Oxide-Based Catalysts and Development of Redox-Type Catalytic Materials by Combinatorial Methods Catal. Today 2000, 62, 91-99 10.1016/S0920-5861(00)00411-9
-
(2000)
Catal. Today
, vol.62
, pp. 91-99
-
-
Buyevskaya, O.V.1
Wolf, D.2
Baerns, M.3
-
43
-
-
0035874824
-
Fundamental and Combinatorial Approaches in the Search for and Optimisation of Catalytic Materials for the Oxidative Dehydrogenation of Propane to Propene
-
Buyevskaya, O. V.; Bruckner, A.; Kondratenko, E. V.; Wolf, D.; Baerns, M. Fundamental and Combinatorial Approaches in the Search for and Optimisation of Catalytic Materials for the Oxidative Dehydrogenation of Propane to Propene Catal. Today 2001, 67, 369-378 10.1016/S0920-5861(01)00329-7
-
(2001)
Catal. Today
, vol.67
, pp. 369-378
-
-
Buyevskaya, O.V.1
Bruckner, A.2
Kondratenko, E.V.3
Wolf, D.4
Baerns, M.5
-
44
-
-
0035866512
-
High-Throughput Synthesis and Screening of Catalytic Materials - Case Study on the Search for a Low-Temperature Catalyst for the Oxidation of Low-Concentration Propane
-
Rodemerck, U.; Wolf, D.; Buyevskaya, O. V.; Claus, P.; Senkan, S.; Baerns, M. High-Throughput Synthesis and Screening of Catalytic Materials-Case Study on the Search for a Low-Temperature Catalyst for the Oxidation of Low-Concentration Propane Chem. Eng. J. 2001, 82, 3-11 10.1016/S1385-8947(00)00348-X
-
(2001)
Chem. Eng. J.
, vol.82
, pp. 3-11
-
-
Rodemerck, U.1
Wolf, D.2
Buyevskaya, O.V.3
Claus, P.4
Senkan, S.5
Baerns, M.6
-
45
-
-
0036411009
-
Optimization of Fe/SiO2 Based Metal Oxides as Selective Oxidation Catalyst of Propane with Combinatorial Approach
-
Yamada, Y.; Ueda, A.; Nakagawa, K.; Kobayashi, T. Optimization Of Fe/SiO2 Based Metal Oxides as Selective Oxidation Catalyst of Propane with Combinatorial Approach Res. Chem. Intermed. 2002, 28, 397-407 10.1163/156856702760346815
-
(2002)
Res. Chem. Intermed.
, vol.28
, pp. 397-407
-
-
Yamada, Y.1
Ueda, A.2
Nakagawa, K.3
Kobayashi, T.4
-
46
-
-
0038148968
-
2 Applying Combinatorial Techniques
-
2 Applying Combinatorial Techniques Catal. Today 2003, 81, 495-506 10.1016/S0920-5861(03)00148-2
-
(2003)
Catal. Today
, vol.81
, pp. 495-506
-
-
Corma, A.1
Serra, J.M.2
Chica, A.3
-
47
-
-
0037472233
-
Development of a Low Temperature Light Paraffin Isomerization Catalysts with Improved Resistance to Water and Sulphur by Combinatorial Methods
-
Serra, J. M.; Chica, A.; Corma, A. Development of a Low Temperature Light Paraffin Isomerization Catalysts with Improved Resistance to Water and Sulphur by Combinatorial Methods Appl. Catal., A 2003, 239, 35-42 10.1016/S0926-860X(02)00371-X
-
(2003)
Appl. Catal., A
, vol.239
, pp. 35-42
-
-
Serra, J.M.1
Chica, A.2
Corma, A.3
-
48
-
-
0347565970
-
Strategies for the Discovery of New Catalysts with Combinatorial Chemistry
-
Kirsten, G.; Maier, W. F. Strategies for the Discovery of New Catalysts with Combinatorial Chemistry Appl. Surf. Sci. 2004, 223, 87-101 10.1016/S0169-4332(03)00911-5
-
(2004)
Appl. Surf. Sci.
, vol.223
, pp. 87-101
-
-
Kirsten, G.1
Maier, W.F.2
-
49
-
-
20044371830
-
Optimization of MoVSb Oxide Catalyst for Partial Oxidation of Isobutane by Combinatorial Approaches
-
Paul, J. S.; Janssens, R.; Denayer, J. F. M.; Baron, G. V.; Jacobs, P. A. Optimization of MoVSb Oxide Catalyst for Partial Oxidation of Isobutane by Combinatorial Approaches J. Comb. Chem. 2005, 7, 407-413 10.1021/cc0500046
-
(2005)
J. Comb. Chem.
, vol.7
, pp. 407-413
-
-
Paul, J.S.1
Janssens, R.2
Denayer, J.F.M.3
Baron, G.V.4
Jacobs, P.A.5
-
50
-
-
37249067960
-
New Catalytic Materials for the High-Temperature Synthesis of Hydrocyanic Acid from Methane and Ammonia by High-Throughput Approach
-
Moehmel, S.; Steinfeldt, N.; Engelschalt, S.; Holena, M.; Kolf, S.; Baerns, A.; Dingerdissen, U.; Wolf, D.; Weber, R.; Bewersdorf, M. New Catalytic Materials for the High-Temperature Synthesis of Hydrocyanic Acid from Methane and Ammonia by High-Throughput Approach Appl. Catal., A 2008, 334, 73-83 10.1016/j.apcata.2007.09.035
-
(2008)
Appl. Catal., A
, vol.334
, pp. 73-83
-
-
Moehmel, S.1
Steinfeldt, N.2
Engelschalt, S.3
Holena, M.4
Kolf, S.5
Baerns, A.6
Dingerdissen, U.7
Wolf, D.8
Weber, R.9
Bewersdorf, M.10
-
51
-
-
84973160415
-
-
International Center for Numerical Methods in Engineering (CIMNE)
-
Zitzler, E.; Laumanns, M.; Thiele, L. EUROGEN 2001; International Center for Numerical Methods in Engineering (CIMNE): 2011; pp 95-100.
-
(2011)
EUROGEN 2001
, pp. 95-100
-
-
Zitzler, E.1
Laumanns, M.2
Thiele, L.3
-
52
-
-
77949373772
-
Evolution of Catalysts Directed by Genetic Algorithms in a Plug-Based Microfluidic Device Tested with Oxidation of Methane by Oxygen
-
Kreutz, J. E.; Shukhaev, A.; Du, W. B.; Druskin, S.; Daugulis, O.; Ismagilov, R. F. Evolution of Catalysts Directed by Genetic Algorithms in a Plug-Based Microfluidic Device Tested with Oxidation of Methane by Oxygen J. Am. Chem. Soc. 2010, 132, 3128-3132 10.1021/ja909853x
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 3128-3132
-
-
Kreutz, J.E.1
Shukhaev, A.2
Du, W.B.3
Druskin, S.4
Daugulis, O.5
Ismagilov, R.F.6
-
53
-
-
0037198618
-
Understanding and Exploiting C-H Bond Activation
-
Labinger, J. A.; Bercaw, J. E. Understanding and Exploiting C-H Bond Activation Nature 2002, 417, 507-514 10.1038/417507a
-
(2002)
Nature
, vol.417
, pp. 507-514
-
-
Labinger, J.A.1
Bercaw, J.E.2
-
54
-
-
0037924515
-
2 with a Stereoelectronic Comparison of Cyclopentadienyl and Scorpionate Ligands
-
2 with a Stereoelectronic Comparison of Cyclopentadienyl and Scorpionate Ligands Organometallics 2003, 22, 2331-2337 10.1021/om021048j
-
(2003)
Organometallics
, vol.22
, pp. 2331-2337
-
-
Bergman, R.G.1
Cundari, T.R.2
Gillespie, A.M.3
Gunnoe, T.B.4
Harman, W.D.5
Klinckman, T.R.6
Temple, M.D.7
White, D.P.8
-
55
-
-
0141674779
-
Review of Ways to Transport Natural Gas Energy from Countries Which do not Need the Gas for Domestic Use
-
Thomas, S.; Dawe, R. A. Review of Ways to Transport Natural Gas Energy from Countries Which do not Need the Gas for Domestic Use Energy 2003, 28, 1461-1477 10.1016/S0360-5442(03)00124-5
-
(2003)
Energy
, vol.28
, pp. 1461-1477
-
-
Thomas, S.1
Dawe, R.A.2
-
56
-
-
4143151730
-
Mild, Aqueous, Aerobic, Catalytic Oxidation of Methane to Methanol and Acetaldehyde Catalyzed by a Supported Bipyrimidinylplatinum-Polyoxometalate Hybrid Compound
-
Bar-Nahum, I.; Khenkin, A. M.; Neumann, R. Mild, Aqueous, Aerobic, Catalytic Oxidation of Methane to Methanol and Acetaldehyde Catalyzed by a Supported Bipyrimidinylplatinum-Polyoxometalate Hybrid Compound J. Am. Chem. Soc. 2004, 126, 10236-10237 10.1021/ja0493547
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 10236-10237
-
-
Bar-Nahum, I.1
Khenkin, A.M.2
Neumann, R.3
-
57
-
-
84879704085
-
2 Hydrogenation to Fuels
-
2 Hydrogenation To Fuels ChemCatChem 2013, 5, 1948-1955 10.1002/cctc.201200879
-
(2013)
ChemCatChem
, vol.5
, pp. 1948-1955
-
-
Rodemerck, U.1
Holena, M.2
Wagner, E.3
Smejkal, Q.4
Barkschat, A.5
Baerns, M.6
-
58
-
-
2642568597
-
Optimization of Cu Oxide Catalysts for Methanol Synthesis by Combinatorial Tools using 96 Well Microplates, Artificial Neural Network and Genetic Algorithm
-
Watanabe, Y.; Umegaki, T.; Hashimoto, M.; Omata, K.; Yamada, M. Optimization of Cu Oxide Catalysts for Methanol Synthesis by Combinatorial Tools using 96 Well Microplates, Artificial Neural Network and Genetic Algorithm Catal. Today 2004, 89, 455-464 10.1016/j.cattod.2004.02.001
-
(2004)
Catal. Today
, vol.89
, pp. 455-464
-
-
Watanabe, Y.1
Umegaki, T.2
Hashimoto, M.3
Omata, K.4
Yamada, M.5
-
59
-
-
0037207802
-
Catalyst Design for Methane Oxidative Coupling by Using Artificial Neural Network and Hybrid Genetic Algorithm
-
Huang, K.; Zhan, X. L.; Chen, F. Q.; Lu, D. W. Catalyst Design for Methane Oxidative Coupling by Using Artificial Neural Network and Hybrid Genetic Algorithm Chem. Eng. Sci. 2003, 58, 81-87 10.1016/S0009-2509(02)00432-3
-
(2003)
Chem. Eng. Sci.
, vol.58
, pp. 81-87
-
-
Huang, K.1
Zhan, X.L.2
Chen, F.Q.3
Lu, D.W.4
-
60
-
-
0035812574
-
Artificial Neural Network-Aided Design of a Multi-Component Catalyst for Methane Oxidative Coupling
-
Huang, K.; Chen, F. Q.; Lu, D. W. Artificial Neural Network-Aided Design of a Multi-Component Catalyst for Methane Oxidative Coupling Appl. Catal., A 2001, 219, 61-68 10.1016/S0926-860X(01)00659-7
-
(2001)
Appl. Catal., A
, vol.219
, pp. 61-68
-
-
Huang, K.1
Chen, F.Q.2
Lu, D.W.3
-
61
-
-
13444263648
-
Optimisation of Olefin Epoxidation Catalysts with the Application of High-Throughput and Genetic Algorithms Assisted by Artificial Neural Networks (Softcomputing Techniques)
-
Corma, A.; Serra, J. M.; Serna, P.; Valero, S.; Argente, E.; Botti, V. Optimisation of Olefin Epoxidation Catalysts with the Application of High-Throughput and Genetic Algorithms Assisted by Artificial Neural Networks (Softcomputing Techniques) J. Catal. 2005, 229, 513-524 10.1016/j.jcat.2004.11.024
-
(2005)
J. Catal.
, vol.229
, pp. 513-524
-
-
Corma, A.1
Serra, J.M.2
Serna, P.3
Valero, S.4
Argente, E.5
Botti, V.6
-
62
-
-
0346304811
-
Application of a Genetic Algorithm and a Neural Network for the Discovery and Optimization of New Solid Catalytic Materials
-
Rodemerck, U.; Baerns, M.; Holena, M.; Wolf, D. Application of a Genetic Algorithm and a Neural Network for the Discovery and Optimization of New Solid Catalytic Materials Appl. Surf. Sci. 2004, 223, 168-174 10.1016/S0169-4332(03)00919-X
-
(2004)
Appl. Surf. Sci.
, vol.223
, pp. 168-174
-
-
Rodemerck, U.1
Baerns, M.2
Holena, M.3
Wolf, D.4
-
63
-
-
73449093538
-
Optimizing Core-Shell Nanoparticle Catalysts with a Genetic Algorithm
-
Froemming, N. S.; Henkelman, G. Optimizing Core-Shell Nanoparticle Catalysts with a Genetic Algorithm J. Chem. Phys. 2009, 131, 234103 10.1063/1.3272274
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 234103
-
-
Froemming, N.S.1
Henkelman, G.2
-
64
-
-
84873435131
-
Control in the Sciences over Vast Length and Time Scales
-
Rabitz, H. Control in the Sciences over Vast Length and Time Scales Quant. Phys. Lett. 2012, 1-19
-
(2012)
Quant. Phys. Lett.
, pp. 1-19
-
-
Rabitz, H.1
-
65
-
-
10844282865
-
Genetic Algorithm-Assisted Combinatorial Search for New Red Phosphors of High Efficiency at Soft Ultraviolet Excitation
-
Sohn, K. S.; Kim, B. I.; Shin, N. Genetic Algorithm-Assisted Combinatorial Search for New Red Phosphors of High Efficiency at Soft Ultraviolet Excitation J. Electrochem. Soc. 2004, 151, H243-H248 10.1149/1.1808592
-
(2004)
J. Electrochem. Soc.
, vol.151
, pp. H243-H248
-
-
Sohn, K.S.1
Kim, B.I.2
Shin, N.3
-
66
-
-
31544460998
-
Genetic Algorithm-Assisted Combinatorial Search for a New Green Phosphor for Use in Tricolor White LEDs
-
Sohn, K. S.; Park, D. H.; Cho, S. H.; Kim, B. I.; Woo, S. I. Genetic Algorithm-Assisted Combinatorial Search for a New Green Phosphor for Use in Tricolor White LEDs J. Comb. Chem. 2006, 8, 44-49 10.1021/cc050101z
-
(2006)
J. Comb. Chem.
, vol.8
, pp. 44-49
-
-
Sohn, K.S.1
Park, D.H.2
Cho, S.H.3
Kim, B.I.4
Woo, S.I.5
-
68
-
-
45149130843
-
Search for New Red Phosphors using Genetic Algorithm-Assisted Combinatorial Chemistry
-
Kulshreshtha, C.; Sharma, A. K.; Sohn, K. S. Search for New Red Phosphors using Genetic Algorithm-Assisted Combinatorial Chemistry J. Comb. Chem. 2008, 10, 421-425 10.1021/cc700198d
-
(2008)
J. Comb. Chem.
, vol.10
, pp. 421-425
-
-
Kulshreshtha, C.1
Sharma, A.K.2
Sohn, K.S.3
-
69
-
-
67649225085
-
Discovery of New Green Phosphors and Minimization of Experimental Inconsistency using a Multi-Objective Genetic Algorithm-Assisted Combinatorial Method
-
Sharma, A. K.; Kulshreshtha, C.; Sohn, K. S. Discovery of New Green Phosphors and Minimization of Experimental Inconsistency using a Multi-Objective Genetic Algorithm-Assisted Combinatorial Method Adv. Funct. Mater. 2009, 19, 1705-1712 10.1002/adfm.200801238
-
(2009)
Adv. Funct. Mater.
, vol.19
, pp. 1705-1712
-
-
Sharma, A.K.1
Kulshreshtha, C.2
Sohn, K.S.3
-
70
-
-
20844456374
-
2+ Powder Phosphors for White Light-Emitting Diodes
-
2+ Powder Phosphors for White Light-Emitting Diodes Appl. Phys. Lett. 2005, 86, 211905 10.1063/1.1935027
-
(2005)
Appl. Phys. Lett.
, vol.86
, pp. 211905
-
-
Hirosaki, N.1
Xie, R.J.2
Kimoto, K.3
Sekiguchi, T.4
Yamamoto, Y.5
Suehiro, T.6
Mitomo, M.7
-
71
-
-
20744458043
-
2+2/3 (M = Ca, Sr, Ba): A Promising Class of Novel LED Conversion Phosphors
-
2+2/3 (M = Ca, Sr, Ba): A Promising Class of Novel LED Conversion Phosphors Chem. Mater. 2005, 17, 3242-3248 10.1021/cm050175d
-
(2005)
Chem. Mater.
, vol.17
, pp. 3242-3248
-
-
Li, Y.Q.1
Delsing, A.C.A.2
De With, G.3
Hintzen, H.T.4
-
72
-
-
33244480086
-
2+, for White Light-Emitting Diodes
-
2+, for White Light-Emitting Diodes Electrochem. Solid-State Lett. 2006, 9, H22-H25 10.1149/1.2173192
-
(2006)
Electrochem. Solid-State Lett.
, vol.9
, pp. H22-H25
-
-
Uheda, K.1
Hirosaki, N.2
Yamamoto, Y.3
Naito, A.4
Nakajima, T.5
Yamamoto, H.6
-
74
-
-
0042700036
-
Optimization of the Temperature Profile of a Temperature Gradient Reactor for DME Synthesis using a Simple Genetic Algorithm Assisted by a Neural Network
-
Omata, K.; Ozaki, T.; Umegaki, T.; Watanabe, Y.; Nukui, N.; Yamada, M. Optimization of the Temperature Profile of a Temperature Gradient Reactor for DME Synthesis using a Simple Genetic Algorithm Assisted by a Neural Network Energy Fuels 2003, 17, 836-841 10.1021/ef0202438
-
(2003)
Energy Fuels
, vol.17
, pp. 836-841
-
-
Omata, K.1
Ozaki, T.2
Umegaki, T.3
Watanabe, Y.4
Nukui, N.5
Yamada, M.6
-
75
-
-
33645502373
-
Directed Development of High-Performance Membranes via High-Throughput and Combinatorial Strategies
-
Bulut, M.; Gevers, L. E. M.; Paul, J. S.; Vankelecom, N. F. J.; Jacobs, P. A. Directed Development of High-Performance Membranes via High-Throughput and Combinatorial Strategies J. Comb. Chem. 2006, 8, 168-173 10.1021/cc050103j
-
(2006)
J. Comb. Chem.
, vol.8
, pp. 168-173
-
-
Bulut, M.1
Gevers, L.E.M.2
Paul, J.S.3
Vankelecom, N.F.J.4
Jacobs, P.A.5
-
76
-
-
49749125250
-
Optimal Design of Nanoplasmonic Materials using Genetic Algorithms as a Multiparameter Optimization Tool
-
Yelk, J.; Sukharev, M.; Seideman, T. Optimal Design of Nanoplasmonic Materials using Genetic Algorithms as a Multiparameter Optimization Tool J. Chem. Phys. 2008, 129, 064706 10.1063/1.2961011
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 064706
-
-
Yelk, J.1
Sukharev, M.2
Seideman, T.3
-
77
-
-
79958819647
-
Resonances On-Demand for Plasmonic Nano-Particles
-
Ginzburg, P.; Berkovitch, N.; Nevet, A.; Shor, I.; Orenstein, M. Resonances On-Demand for Plasmonic Nano-Particles Nano Lett. 2011, 11, 2329-2333 10.1021/nl200612f
-
(2011)
Nano Lett.
, vol.11
, pp. 2329-2333
-
-
Ginzburg, P.1
Berkovitch, N.2
Nevet, A.3
Shor, I.4
Orenstein, M.5
-
78
-
-
79955370177
-
2 for Low-Temperature Processable Photoanodes of Dye-Sensitized Solar Cells
-
2 for Low-Temperature Processable Photoanodes of Dye-Sensitized Solar Cells ACS Comb. Sci. 2011, 13, 101-106 10.1021/co1000025
-
(2011)
ACS Comb. Sci.
, vol.13
, pp. 101-106
-
-
Kim, S.1
Sohn, K.S.2
Pyo, M.3
-
80
-
-
84912127250
-
Evolution-In-Materio: Solving Function Optimization Problems using Materials
-
Mohid, M.; Miller, J. F.; Harding, S. L.; Tufte, G.; Lykkebo, O. R.; Massey, M. K.; Petty, M. C. Evolution-In-Materio: Solving Function Optimization Problems using Materials 14th UK Workshop Comput. Intell. 2014, 7-14 10.1109/UKCI.2014.6930152
-
(2014)
14th UK Workshop Comput. Intell.
, pp. 7-14
-
-
Mohid, M.1
Miller, J.F.2
Harding, S.L.3
Tufte, G.4
Lykkebo, O.R.5
Massey, M.K.6
Petty, M.C.7
-
81
-
-
0002624789
-
Evolutionary and Genetic Methods in Drug Design
-
Parrill, A. L. Evolutionary and Genetic Methods in Drug Design Drug Discovery Today 1996, 1, 514-521 10.1016/S1359-6446(96)10045-3
-
(1996)
Drug Discovery Today
, vol.1
, pp. 514-521
-
-
Parrill, A.L.1
-
82
-
-
2142700051
-
2 Partial Pressure using Combinatorial Tools
-
2 Partial Pressure using Combinatorial Tools Appl. Catal., A 2004, 262, 207-214 10.1016/j.apcata.2003.11.028
-
(2004)
Appl. Catal., A
, vol.262
, pp. 207-214
-
-
Omata, K.1
Hashimoto, M.2
Watanabe, Y.3
Umegaki, T.4
Wagatsuma, S.5
Ishiguro, G.6
Yamada, M.7
-
83
-
-
11844251359
-
Artificial Neural Network Aided Design of a Stable Co-MgO Catalyst of High-Pressure Dry Reforming of Methane
-
Omata, K.; Nukui, N.; Yamada, M. Artificial Neural Network Aided Design of a Stable Co-MgO Catalyst of High-Pressure Dry Reforming of Methane Ind. Eng. Chem. Res. 2005, 44, 296-301 10.1021/ie049302q
-
(2005)
Ind. Eng. Chem. Res.
, vol.44
, pp. 296-301
-
-
Omata, K.1
Nukui, N.2
Yamada, M.3
-
85
-
-
65449183856
-
3 Catalyst for Dry Reforming of Methane under Pressure
-
3 Catalyst for Dry Reforming of Methane under Pressure Energy Fuels 2009, 23, 1931-1935 10.1021/ef8010004
-
(2009)
Energy Fuels
, vol.23
, pp. 1931-1935
-
-
Omata, K.1
Kobayashi, Y.2
Yamada, M.3
-
86
-
-
22144449272
-
Artificial Neural Network-Aided Development of Supported Co Catalyst for Preferential Oxidation of CO in Excess Hydrogen
-
Omata, K.; Kobayashi, Y.; Yamada, M. Artificial Neural Network-Aided Development of Supported Co Catalyst for Preferential Oxidation of CO in Excess Hydrogen Catal. Commun. 2005, 6, 563-567 10.1016/j.catcom.2005.05.004
-
(2005)
Catal. Commun.
, vol.6
, pp. 563-567
-
-
Omata, K.1
Kobayashi, Y.2
Yamada, M.3
-
88
-
-
66149138429
-
Artificial Neural Network Aided Screening for Membrane Disc Catalysts for Oxidative Reforming of Methane
-
Omata, K.; Masuda, A.; Ishii, H.; Suzuki, H.; Yamada, M. Artificial Neural Network Aided Screening for Membrane Disc Catalysts for Oxidative Reforming of Methane Appl. Catal., A 2009, 362, 14-19 10.1016/j.apcata.2009.04.009
-
(2009)
Appl. Catal., A
, vol.362
, pp. 14-19
-
-
Omata, K.1
Masuda, A.2
Ishii, H.3
Suzuki, H.4
Yamada, M.5
-
89
-
-
41549113041
-
Design of Electroceramic Materials using Artificial Neural Networks and Multiobjective Evolutionary Algorithms
-
Scott, D. J.; Manos, S.; Coveney, P. V. Design of Electroceramic Materials using Artificial Neural Networks and Multiobjective Evolutionary Algorithms J. Chem. Inf. Model. 2008, 48, 262-273 10.1021/ci700269r
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 262-273
-
-
Scott, D.J.1
Manos, S.2
Coveney, P.V.3
-
90
-
-
84973120595
-
The Materials Genome in Action: Identifying the Performance Limits of Hydrogen Storage
-
Thornton, A. W.; Simon, C.; Kim, J. S.; Deeg, K. S.; Konstas, K.; Hill, M. R.; Winkler, D. A.; Haranczyk, M.; Smit, B. The Materials Genome in Action: Identifying the Performance Limits of Hydrogen Storage. Energy Environ. Sci. 2016.
-
(2016)
Energy Environ. Sci.
-
-
Thornton, A.W.1
Simon, C.2
Kim, J.S.3
Deeg, K.S.4
Konstas, K.5
Hill, M.R.6
Winkler, D.A.7
Haranczyk, M.8
Smit, B.9
-
91
-
-
84860408502
-
Beyond biology: Designing a New Mechanism for Self-Replication and Evolution at the Nanoscale
-
Schulman, R. Beyond biology: Designing a New Mechanism for Self-Replication and Evolution at the Nanoscale Proc. 13th Annu. Genet. Evol. Comput. Conf. 2011, 7-14 10.1145/2001576.2001578
-
(2011)
Proc. 13th Annu. Genet. Evol. Comput. Conf.
, pp. 7-14
-
-
Schulman, R.1
-
92
-
-
84922625579
-
Evolution of Oil Droplets in a Chemorobotic Platform
-
Gutierrez, J. M. P.; Hinkley, T.; Taylor, J. W.; Yanev, K.; Cronin, L. Evolution of Oil Droplets in a Chemorobotic Platform Nat. Commun. 2014, 5, 5571 10.1038/ncomms6571
-
(2014)
Nat. Commun.
, vol.5
, pp. 5571
-
-
Gutierrez, J.M.P.1
Hinkley, T.2
Taylor, J.W.3
Yanev, K.4
Cronin, L.5
|