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© April 2005 Lorentz JÄNTSCHI

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Molecule filename: 000_PCB000.hin005_PCB005.hin009_PCB009.hin010_PCB010.hin013_PCB013.hin01_mr1001.hin02_mr1002.hin03_mr1003.hin04_mr1004.hin05_mr1005.hin06_mr1006.hin07_mr1007.hin08_mr1008.hin09_mr1009.hin10_mr1010.hin137_PCB137.hin138_PCB138.hin201_PCB201.hin

Distance operator: Topological distance, tGeometrical distance, g

Atomic property: Cardinality, CCount of directly bounded hidrogen's, HRelative atomic mass, MAtomic electronegativity, EGroup electronegativity, GPartial charge, Q

Descriptor (of interaction) formula: Distance, `D` = dInverted distance, `d` = 1/dFirst atom's property, `O` = p1Inverted O, `o` = 1/p1Product of atomic properties, `P` = p1p2Inverted P, `p` = 1/p1p2Squared P, `Q` = p1p2^1/2Inverted Q, `q` = 1/p1p2^1/2First atom's Property multiplied by distance, `J` = p1dInverted J, `j` = 1/p1dProduct of atomic properties and distance, `K` = p1p2dInverted K, `k` = 1/p1p2dProduct of distance and squared atomic properties, `L` = d(p1p2)^1/2Inverted L, `l` = 1/(d(p1p2)^1/2)First atom's property potential, `V` = p1/dFirst atom's property field, `E` = p1/d^2First atom's property work, `W` = p1^2/dProperties work, `w` = p1p2/dFirst atom's property force, `F` = p1^2/d^2Properties force, `f` = p1p2/d^2First atom's property weak nuclear force, `S` = p1^2/d^3Properties weak nuclear force, `s` = p1p2/d^3First atom's property strong nuclear force, `T` = p1^2/d^4Properties strong nuclear force, `t` = p1p2/d^4

Interaction model: Rare model and resultant relative to fragment's head, RRare model and resultant relative to conventional origin, rMedium model and resultant relative to fragment's head, MMedium model and resultant relative to conventional origin, mDense model and resultant relative to fragment's head, DDense model and resultant relative to conventional origin, d

Fragmentation criteria: Minimal fragments, mMaximal fragments, MSzeged distance based fragments, DCluj path based fragments, P

Molecular overall superposing formula: Cond., smallest, mCond., highest, MCond., smallest absolute, nCond., highest absolute, NAvg., sum, SAvg., average, AAvg., S/count(fragments), aAvg., Avg.(Avg./atom)/count(atoms), BAvg., S/count(bonds), bGeom., product, PGeom., mean, GGeom., P^1/count(fragments), gGeom., Geom.(Geom./atom)/count(atoms), FGeom., P^1/count(bonds), fHarm., sum, sHarm., mean, HHarm., s/count(fragments), hHarm., Harm.(Harm./atom)/count(atoms), IHarm., s/count(bonds), i

Linearization operator: Identity (no change), IInversed I, iAbsolute I, AInversed A, aLogarithm of A, LLogarithm of I, l