The Application of Hückel and Extended Hückel Molecular Orbital Calculations to Biochemical Problems

  • W. Brock Neely


Professor A. Szent-Györgyi, in writing of his research [1], said, “ relations to the various sciences were very promiscuous and made me remain an amateur scientist but a professional poacher”. A similar feeling arises from the complexity of the subject of structure activity analysis which requires the application of knowledge from all fields. In this endeavor, one quickly develops the ability to take the results and observations of other people in an effort to determine what is necessary for a chemical to be an active drug. The process leads to generalizations which, hopefully, will allow the design of better chemicals for specific end uses. One of the first generalizations discovered is that in this sort of study you cannot allow yourself the luxury of becoming too engrossed in any one discipline — you must maintain a proper perspective and attempt to keep all parameters in balance.


Molecular Orbital High Occupied Molecular Orbital Trans Isomer Charge Matrix Electronic Index 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer Science+Business Media New York 1970

Authors and Affiliations

  • W. Brock Neely
    • 1
  1. 1.Biochemical Research LaboratoryThe Dow Chemical CompanyMidlandUSA

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