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Optimal Molecular Design under Property Prediction Uncertainty
Costas D. Maranas
Chemical Engineering
Institute for Computational and Data Sciences (ICDS)
Materials Research Institute (MRI)
Huck Institutes of the Life Sciences
Research output
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Contribution to journal
›
Article
›
peer-review
78
Scopus citations
Overview
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Dive into the research topics of 'Optimal Molecular Design under Property Prediction Uncertainty'. Together they form a unique fingerprint.
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Keyphrases
Molecular Design
100%
Property Prediction Uncertainties
100%
Design Problems
40%
Group Contribution
40%
Multivariate Probability Distribution
20%
Probability Density Function
20%
Separability
20%
Design Specification
20%
Probability Distribution
20%
Systematic Method
20%
Property Structure
20%
Group Contribution Method
20%
Mixed Integer Nonlinear Programming
20%
Convex MINLP
20%
Performance Objectives
20%
Computational Tractability
20%
Trade-off Curve
20%
Stochastic Formulation
20%
Objective Probability
20%
Chemical Engineering
Molecular Design
100%