Programming heuristic

Terry, A. Stanford Heuristic Programming Project, Report No. HPP-83-19, May 1983. 

An heuristic program written by Shelley (10) has been adapted for our computer system to display molecular structures and substructures from connectivity tables. Since the molecular structure and substructure representations are stored in a unique, irredundant form, the structure drawings facilitate visual comparison for commonalities. 

Stagle, J. R. (1971) Artificial Intelligence The Heuristic Programming Approach. McGraw Hill, New York. 

The other source on which our work draws is the heuristic research methodology. Heuristic programming involves trial and error procedures rather than algorithms, and has become more practical with the advent ot real-time interaction. The only condition for the practice... 

However, there is a difference between conventional software algorithms and expert systems. Whereas conventional algorithms have a clearly defined result, an expert system may provide no answer or just one with a certain probability. The methodology used here is heuristic programming, and, depending on the point of view, the terms expert system and knowledge-based or rule-based system are often used synonymously. 

SYNSUP-MB is a heuristic program developed particularly for industrial application by M. Bersohn of Toronto University in cooperation with Sumitomo Chemical Co. [114]. It includes a database with 2500 reactions and allows very fast automated simulation of reactions and 22,000 reactions per hour with moderately complex target molecules including multiple stereocenters. Though the user may define constraints on reaction routes, like the maximum number of reaction steps, the search is conducted without any user interaction. 

Buchauau, B.G. aud Shortliffe, E.H., Eds., Rule-Based Expert Systems The MYCIN Experiments of the Stanford Heuristic Programming Project, Addisou-Wesley, Read-iug, MA, 1984. Out of priut electrouically available at http //www.aaaipress.org/Clas-sic/Buchauau/buchauau.html. 

Feigenbanm, E.A., et al., A Proposal for Continnation of the MOLGEN Project A Computer Science Application to Molecular Biology, Computer Science Department, Stanford University, Heuristic Programming Project, Technical Report HPP-80-5, April, 1980, 1. 

The present chapter will be mainly devoted to the three other approaches for structure determination, e. g. the Learning Machine Approach (LMA), the Deduction Programming Approach (DPA) and the Heuristic Programming Approach (HPA). Much emphasis will be put on the artificial intelligence approach where the computer is used as a symbol manipulator. The last section will introduce a new departure in the use of a computer for mass spectrometry, the area of theory formation and the proposal of fragmentation mechanisms. 

This section concerns the use of non-heuristic programs to deduce structural information from mass spectra. Automated systems were proposed as early as 1966 for compound-t5q)e identification 24,25) nd as an aid in the inter-... 

A Heuristic Program to Discover Syntheses for Complex Organic Molecules. Proceedings of the IFIP74 (International Federation for Information Processing) Congress, Stockholm, August 1974. 

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