ChemInform Abstract: Computer-Assisted Planning of Organic Syntheses: The Second Generation of Programs

ChemInform ◽  
2010 ◽  
Vol 27 (15) ◽  
pp. no-no
Author(s):  
W.-D. IHLENFELDT ◽  
J. GASTEIGER
Keyword(s):  
Second Generation ◽  
Computer Assisted ◽  
Organic Syntheses

Valence states of atoms and their conversions

1984 ◽  
Vol 49 (5) ◽  
pp. 1247-1261 ◽  
Author(s):  
Jaroslav Koča ◽  
Milan Kratochvíl ◽  
Milan Kunz ◽  
Vladimír Kvasnička
Keyword(s):  
Chemical Reactions ◽  
Computer Assisted ◽  
Efficient Tool ◽  
Common Features ◽  
Systematic Application ◽  
Organic Syntheses ◽  
Valence States ◽  
Algebraic Formalism

The algebraic formalism for the description of valence states of atoms and their interconversions is elaborated. It offers a possibility to construct and trace mechanistic paths of chemical reactions, the problem of which is of great importance in computer-assisted organic syntheses. Its systematic application gives exhaustive lists of possible mechanistic paths, and furthermore, very efficient tool to classify chemical reactions and look for their common features.

Methods of Foreign Policy Analysis

2010 ◽  
Author(s):  
Philip B.K. Potter
Keyword(s):  
Foreign Policy ◽  
Policy Analysis ◽  
Second Generation ◽  
Computer Assisted ◽  
Third Generation ◽  
Foreign Policy Analysis ◽  
Foreign Policies ◽  
Historical Methods ◽  
Events Data

Foreign policy analysis (FPA) is the study of how states, or the individuals that lead them, make foreign policy, execute foreign policy, and react to the foreign policies of other states. This topical breadth results in a subfield that encompasses a variety of questions and levels of analysis, and a correspondingly diverse set of methodological approaches. There are four methods which have become central in foreign policy analysis: archival research, content analysis, interviews, and focus groups. The first major phase of FPA research is termed “comparative foreign policy.” Proponents of comparative foreign policy sought to achieve comprehensive theories of foreign policy behavior through quantitative analysis of “events” data. An important strand of this behavioral work addressed the relationship between trade dependence and foreign policy compliance. On the other hand, second-generation FPA methodology largely abandoned universalized theory-building in favor of historical methods and qualitative analysis. Second-generation FPA researchers place particular emphasis on developing case study methodologies driven by social science principles. Meanwhile, the third-generation of FPA scholarship combines innovative quantitative and qualitative methods. Several methods of foreign policy analysis used by third-generation FPA researchers include computer assisted coding, experiments, simulation, surveys, network analysis, and prediction markets. Ultimately, additional attention should be given to determining the degree to which current methods of foreign policy analysis allow predictive or prescriptive conclusions. FPA scholars should also focus more in reengaging foreign policy analysis with the core of international relations research.

Computer-assisted synthetic analysis. Selection of protective groups for multistep organic syntheses.

1985 ◽  
Vol 50 (11) ◽  
pp. 1920-1927 ◽  
Author(s):  
E. J. Corey ◽  
Alan K. Long ◽  
Theodora W. Greene ◽  
John W. Miller
Keyword(s):  
Computer Assisted ◽  
Organic Syntheses ◽  
Protective Groups ◽  
Selection Of

Computer-Assisted Design of Complex Organic Syntheses

Science ◽  
1969 ◽  
Vol 166 (3902) ◽  
pp. 178-192 ◽  
Author(s):  
E. J. Corey ◽  
W. T. Wipke
Keyword(s):  
Computer Assisted ◽  
Organic Syntheses ◽  
Computer Assisted Design ◽  
Complex Organic
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