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Available online: 28 Nov 2010The paper reports on recent progress towards systematic chemical recognition using shaped femtosecond laser pulses. The ability to generate highly accurate phase functions in which retardation is limited to two values, 0 and π, allows one to carry out an exhaustive evaluation of a 10-bit binary function set in minutes. Upon mining the resulting mass spectra, shaped pulses are found that can be used to uniquely identify a molecule (including structural isomers and stereoisomers) by the resulting fragmentation and ionization pattern. This approach is described and its successful application demonstrated.