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Or Yair et al.
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Informatics Infrastructure for the Materials Genome Initiative
Alden Dima et al.
JOM (2016)
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Joanne Hill et al.
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David Silver et al.
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Dezhen Xue et al.
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Deep learning in neural networks: An overview
Juergen Schmidhuber
NEURAL NETWORKS (2015)
Designing DNA-grafted particles that self-assemble into desired crystalline structures using the genetic algorithm
Babji Srinivasan et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2013)
Language-oriented rule-based reaction network generation and analysis: Description of RING
Srinivas Rangarajan et al.
COMPUTERS & CHEMICAL ENGINEERING (2012)
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M. Salciccioli et al.
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E. Munoz et al.
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OntoMODEL: Ontological Mathematical Modeling Knowledge Management in Pharmaceutical Product Development, 1: Conceptual Framework
Pradeep Suresh et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2010)
Purdue Ontology for Pharmaceutical Engineering: Part I. Conceptual Framework
Leaelaf Hailemariam et al.
JOURNAL OF PHARMACEUTICAL INNOVATION (2010)
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Shuo-Huan Hsu et al.
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OntoCAPE - A large-scale ontology for chemical process engineering
Jan Morbach et al.
ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE (2007)
Ontological informatics infrastructure for pharmaceutical product development and manufacturing
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A fast learning algorithm for deep belief nets
Geoffrey E. Hinton et al.
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S Katare et al.
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Chemical product design: challenges and opportunities
R Gani
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P Ghosh et al.
RUBBER CHEMISTRY AND TECHNOLOGY (2003)
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V Venkatsubramanian et al.
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Agent-based supply chain management-1: framework
N Julka et al.
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S Katare et al.
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A Sundaram et al.
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