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A New Decomposition-Based Computer-Aided Molecular/Mixture Design Methodology for the Design of Optimal Solvents and Solvent Mixtures
This paper presents a novel computer-aided molecular/mixture design (CAMD) methodology for the design of optimal solvents and solvent mixtures. Expand
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Expression Profile of Osteoblast Lineage at Defined Stages of Differentiation*
The inherent heterogeneity of bone cells complicates the interpretation of microarray studies designed to identify genes highly associated with osteoblast differentiation. To overcome this problem,Expand
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Designing environmentally safe refrigerants using mathematical programming
Computer-aided molecular design is a strategy in which a set of structural groups are systematically combined to form molecules with desired properties. In this paper, a mathematicalExpand
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A computer-aided molecular design framework for crystallization solvent design
One of the key decisions in designing solution crystallization processes is the selection of solvents. In this paper, we present a computer-aided molecular design (CAMD) framework for the design andExpand
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Genetic signatures of High- and Low-Risk Aberrant Crypt Foci in a Mouse Model of Sporadic Colon Cancer
To determine whether cancer risk is related to histopathological features of preneoplastic aberrant crypt foci (ACF), gene expression analysis was performed on ACF from two mouse strains withExpand
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Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening.
We present a machine-learning-augmented chemisorption model that enables fast and accurate prediction of the surface reactivity of metal alloys within a broad chemical space. Specifically, we showExpand
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On the design of environmentally benign refrigerant mixtures : a mathematical programming approach
Abstract Chlorofluorocarbon (CFC)-based refrigerants (such as CFC12) have found widespread uses in home refrigerators and automotive air conditioners primarily due to their non-toxic, non-flammableExpand
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A hybrid neural network model for PEM fuel cells
Abstract The goal of this paper is to discuss a neural network modeling approach for developing a quantitatively good model for proton exchange membrane (PEM) fuel cells. Various ANN approaches haveExpand
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An experimental verification of morphology of ibuprofen crystals from CAMD designed solvent
Abstract In our previous work [Karunanithi et al., 2006. A computer-aided molecular design framework for crystallization solvent design. Chemical Engineering Science 61, 1247–1260] we proposed aExpand
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Developing Targets for the Performance Index of a Chemical Reactor Network: Isothermal Systems
La densite de temps de sejour et les fonctions de micromelangeage et macromelangeage sont choisies comme variable de commande pour la conception d'un algorithme de commande optimale en utilisant laExpand
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