Abstract
A survey of symbolic computation in chemistry is presented, emphasizing the impact on chemical information systems (storage and retrieval of chemical constitutional graphs), the enumeration and structural representation of chemical isomers.
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Balaban, A.T. (1985). Symbolic computation and chemistry. In: Buchberger, B. (eds) EUROCAL '85. EUROCAL 1985. Lecture Notes in Computer Science, vol 203. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-15983-5_6
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DOI: https://doi.org/10.1007/3-540-15983-5_6
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