scholarly journals Computational Design and Synthesis of Nitrogen-Substituted Carbon and Silicon Clathrates

2013 ◽  
Vol 2 (2) ◽  
pp. 70-75 ◽  
Author(s):  
Kwai S. Chan ◽  
Michael A. Miller ◽  
Wuwei Liang ◽  
Carol Ellis-Terrell
Keyword(s):  
Computational Design ◽  
Design And Synthesis ◽  
Silicon Clathrates

First-principles computational design and synthesis of hybrid carbon–silicon clathrates

2014 ◽  
Vol 49 (7) ◽  
pp. 2723-2733 ◽  
Author(s):  
Kwai S. Chan ◽  
Michael A. Miller ◽  
Wuwei Liang ◽  
Carol Ellis-Terrell ◽  
Xihong Peng
Keyword(s):  
First Principles ◽  
Computational Design ◽  
Design And Synthesis ◽  
Silicon Clathrates ◽  
Hybrid Carbon

scholarly journals Computational Design and Synthesis of a Deeply Red-Shifted and Bistable Azobenzene

2020 ◽  
Vol 142 (14) ◽  
pp. 6538-6547 ◽  
Author(s):  
David B. Konrad ◽  
Gökcen Savasci ◽  
Lars Allmendinger ◽  
Dirk Trauner ◽  
Christian Ochsenfeld ◽  
...  
Keyword(s):  
Computational Design ◽  
Design And Synthesis

scholarly journals Solution Phase Synthesis of Chemical Libraries for Lead Discovery

1996 ◽  
Vol 1 (4) ◽  
pp. 179-186 ◽  
Author(s):  
Cheryl D. Garr ◽  
John R. Peterson ◽  
Lauri Schultz ◽  
Amy R. Oliver ◽  
Ted L. Underiner ◽  
...  
Keyword(s):  
Analytical Data ◽  
Synthesis Method ◽  
Computational Design ◽  
Significant Degree ◽  
Reaction Products ◽  
Lead Discovery ◽  
Drug Candidates ◽  
Design And Synthesis ◽  
The Individual ◽  
Short Time

By integrating advanced computational design and synthesis, a series of structurally diverse reaction products based on three core scaffolds were prepared by a propietary high throughput synthesis method. Incorporation of auto-mated work stations and sample handling techniques allowed for the production of more than 20,000 compounds in a relatively short time. A method to efficiently obtain quantitative and qualitative analytical data on these compounds was developed. Structural comparison of the individual members of this library with a database of clinical drug candidates revealed a significant degree of similarity based on Tanimoto coefficients.

Computational design and synthesis of molecular imprinted polymers for selective extraction of allopurinol from human plasma

2012 ◽  
Vol 898 ◽  
pp. 24-31 ◽  
Author(s):  
Mehrdad Tabandeh ◽  
Soheila Ghassamipour ◽  
Heydar Aqababa ◽  
Meisam Tabatabaei ◽  
Meisam Hasheminejad
Keyword(s):  
Human Plasma ◽  
Computational Design ◽  
Selective Extraction ◽  
Molecular Imprinted Polymers ◽  
Imprinted Polymers ◽  
Design And Synthesis

scholarly journals Computational design and synthesis of novel fluoro-analogs of combretastatins A-4 and A-1

2017 ◽  
Vol 203 ◽  
pp. 193-199 ◽  
Author(s):  
Yao Zong ◽  
Christie Shea ◽  
Katherine Maffucci ◽  
Iwao Ojima
Keyword(s):  
Computational Design ◽  
Design And Synthesis
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