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Three Facets of Scientific Discovery

Scientific discovery is a complex process, and in this paper we consider three of its many facets - discovering laws of qualitative structure, finding quantitative relations between variables, and formulating sfructural models of reactions. We describe three discovery systems - GLAUBER, BACON, and DALTON - that address these three aspects of the scientific process. GLAUBER forms classes of objects based on regularities in qualitative data, and states abstract laws in terms of these classes. BACON includes heuristics for finding numerical laws, for postulating intrinsic properties, and for noting common divisors. DALTON formulates molecular models that account for observed reactions, taking advantage of theoretical assumptions to direct its search if they are available. We show how each of the programs is capable of rediscovering laws or models that were found in the early days of chemistry. Finally, we consider some possble interactions between these systems, and the need for an integrated theory of discovery.