scholarly journals Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list

2020 ◽  
Vol 5 (2) ◽  
pp. 367-376
Author(s):  
Hanyu Gao ◽  
Connor W. Coley ◽  
Thomas J. Struble ◽  
Linyan Li ◽  
Yujie Qian ◽  
...  
Keyword(s):  
Essential Medicines ◽  
Mixed Integer ◽  
Integer Optimization ◽  
Mixed Integer Optimization ◽  
Essential Medicines List ◽  
Multiple Products ◽  
On Demand

Retrosynthetic pathways suggestions are optimized to minimize the number of unique chemicals required to synthesize multiple products as would be useful for on-demand manufacturing.

Nonlinear and Mixed-Integer Optimization

1995 ◽  
Author(s):  
Christodoulos A. Floudas
Keyword(s):  
Nonlinear Optimization ◽  
Systems Engineering ◽  
Chemical Engineering ◽  
Applied Mathematics ◽  
Linear Optimization ◽  
Mixed Integer ◽  
Process Synthesis ◽  
Synthesis Process ◽  
Integer Optimization ◽  
Mixed Integer Optimization

Filling a void in chemical engineering and optimization literature, this book presents the theory and methods for nonlinear and mixed-integer optimization, and their applications in the important area of process synthesis. Other topics include modeling issues in process synthesis, and optimization-based approaches in the synthesis of heat recovery systems, distillation-based systems, and reactor-based systems. The basics of convex analysis and nonlinear optimization are also covered and the elementary concepts of mixed-integer linear optimization are introduced. All chapters have several illustrations and geometrical interpretations of the material as well as suggested problems. Nonlinear and Mixed-Integer Optimization will prove to be an invaluable source--either as a textbook or a reference--for researchers and graduate students interested in continuous and discrete nonlinear optimization issues in engineering design, process synthesis, process operations, applied mathematics, operations research, industrial management, and systems engineering.

Split cuts for robust mixed-integer optimization

2012 ◽  
Vol 40 (3) ◽  
pp. 165-171
Author(s):  
Utz-Uwe Haus ◽  
Frank Pfeuffer
Keyword(s):  
Mixed Integer ◽  
Integer Optimization ◽  
Mixed Integer Optimization ◽  
Split Cuts
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