Michael Krein
Michael Krein
Lockheed Martin Advanced Technology Laboratories
Geverifieerd e-mailadres voor lmco.com - Homepage
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Autonomy in materials research: a case study in carbon nanotube growth
P Nikolaev, D Hooper, F Webber, R Rao, K Decker, M Krein, J Poleski, ...
npj Computational Materials 2 (1), 1-6, 2016
1072016
Stalking the materials genome: a data‐driven approach to the virtual design of nanostructured polymers
CM Breneman, LC Brinson, LS Schadler, B Natarajan, M Krein, K Wu, ...
Advanced functional materials 23 (46), 5746-5752, 2013
612013
Binding affinity prediction with property-encoded shape distribution signatures
S Das, MP Krein, CM Breneman
Journal of chemical information and modeling 50 (2), 298-308, 2010
592010
In vitro prototyping and rapid optimization of biosynthetic enzymes for cell design
AS Karim, QM Dudley, A Juminaga, Y Yuan, SA Crowe, JT Heggestad, ...
Nature Chemical Biology 16 (8), 912-919, 2020
282020
Bio-and Chem-Informatics: where do the twain meet
N Sukumar, M Krein, CM Breneman
Curr Opin Drug Discov Dev 11, 311-319, 2008
232008
MQSPR modeling in materials informatics: a way to shorten design cycles?
N Sukumar, M Krein, Q Luo, C Breneman
Journal of Materials Science 47 (21), 7703-7715, 2012
222012
Exploration of the topology of chemical spaces with network measures
MP Krein, N Sukumar
The Journal of Physical Chemistry A 115 (45), 12905-12918, 2011
212011
PESDserv: a server for high-throughput comparison of protein binding site surfaces
S Das, MP Krein, CM Breneman
Bioinformatics 26 (15), 1913-1914, 2010
152010
Developing Best Practices for Descriptor‐Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations
M Krein, TW Huang, L Morkowchuk, DK Agrafiotis, CM Breneman
Statistical Modelling of Molecular Descriptors in QSAR/QSPR 2, 33-64, 2012
132012
Prediction of peptide bonding affinity: kernel methods for nonlinear modeling
C Bergeron, T Hepburn, CM Sundling, M Krein, B Katt, N Sukumar, ...
arXiv preprint arXiv:1108.5397, 2011
102011
On the development and use of large chemical similarity networks, informatics best practices and novel chemical descriptors towards materials quantitative structure property …
M Krein
Rensselaer Polytechnic Institute, 2011
102011
Development of materials informatics tools and infrastructure to enable high throughput materials design
MP Krein, B Natarajan, LS Schadler, LC Brinson, H Deng, D Gai, Y Li, ...
MRS Online Proceedings Library 1425 (1), 1-6, 2012
92012
Graphs and networks in chemical and biological informatics: past, present and future
N Sukumar, MP Krein
Future medicinal chemistry 4 (16), 2039-2047, 2012
92012
A quantitative structure–activity relationship to predict efficacy of granular activated carbon adsorption to control emerging contaminants
AR Kennicutt, L Morkowchuk, M Krein, CM Breneman, JE Kilduff
SAR and QSAR in Environmental Research 27 (8), 653-676, 2016
82016
Autonomous experimentation applied to carbon nanotube synthesis
B Maruyama, K Decker, M Krein, J Poleski, R Barto, F Webber, P Nikolaev
Microscopy and Microanalysis 23 (S1), 182-182, 2017
72017
Sensing and assessing cognitive workload across multiple tasks
MD Ziegler, A Kraft, M Krein, LC Lo, B Hatfield, W Casebeer, B Russell
International Conference on Augmented Cognition, 440-450, 2016
72016
From drug discovery QSAR to predictive materials QSPR: the evolution of descriptors, methods, and models
K Wu, B Natarajan, L Morkowchuk, M Krein, CM Breneman
Informatics for materials science and engineering, 385-422, 2013
72013
Predictive cheminformatics in drug discovery: statistical modeling for analysis of micro-array and gene expression data
N Sukumar, MP Krein, MJ Embrechts
Bioinformatics and Drug Discovery, 165-194, 2012
62012
Exploiting domain knowledge for improved quantitative high-throughput screening curve fitting
C Bergeron, G Moore, M Krein, CM Breneman, KP Bennett
Journal of chemical information and modeling 51 (11), 2808-2820, 2011
62011
A systematic approach to developing near real-time performance predictions based on physiological measures
AE Kraft, J Russo, M Krein, B Russell, W Casebeer, M Ziegler
2017 IEEE Conference on Cognitive and Computational Aspects of Situation …, 2017
52017
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Artikelen 1–20