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Alanah Grant St. James; Luke Hand; Thomas Mills; Liwen Song; Annabel S. J. Brunt; Patrick E. Bergstrom Mann; Andrew F. Worrall; Malcolm I. Stewart; Claire Vallance – Journal of Chemical Education, 2023
Applications of machine learning in chemistry are many and varied, from prediction of structure-property relationships, to modeling of potential energy surfaces for large scale atomistic simulations. We describe a generalized approach for the application of machine learning to the classification of spectra which can be used as the basis for a wide…
Descriptors: Artificial Intelligence, Chemistry, Science Instruction, Classification
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Hoggard, Franklin R. – Journal of Chemical Education, 1987
Suggests a method for solving verbal problems in chemistry using a linguistic algorithm that is partly adapted from two artificial intelligence languages. Provides examples of problems solved using the mental concepts of translation, rotation, mirror image symmetry, superpositioning, disjoininng, and conjoining. (TW)
Descriptors: Algorithms, Artificial Intelligence, Chemical Nomenclature, Chemical Reactions