Hybridization

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The hybridisation detection algorithm uses a flexible PATTY expert system.

Data (PATTY expert system)

References

@Article{bs93,
 author = {B. L. Bush and R. P. Sheridan},
 title = {{PATTY}: {A} {P}rogrammable {A}tom {T}yper and {L}anguage for {A}utomatic 
          {C}lassification of {A}toms in {M}olecular {D}atabases.},
 journal = {J. Chem. Inf. Comput. Sci.},
 year = {1993},
 volume = {33},
 pages = {756-762},
}
@Article{ml91,
 author = {E. C. Meng and R. A. Lewis},
 title = {{D}etermination of {M}olecular {T}opology and {A}tomic {H}ybridisation
          {S}tates from {H}eavy {A}tom {C}oordinates},
 journal = {J. Comp. Chem.},
 year = {1991},
 volume = {12},
 pages = {891-898},
}