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Topological Pharmacophore Pair Fingerprints

One of the most widely used pairwise descriptors, CATS (Chemically Advanced Template Search), represents counts of the 150 different atom pair [Pg.52]

TGD fingerprints, consisting of 420 bits, are topological binding property pairs calculated covering 15 distance values. Distances between any two types of the seven pharmacophore features are determined as the shortest connecting paths in the molecular graph representation. [Pg.773]

See other pages where Topological Pharmacophore Pair Fingerprints is mentioned: [Pg.52] [Pg.52] [Pg.136] [Pg.52] [Pg.56] [Pg.59] [Pg.62] [Pg.64] [Pg.68] [Pg.70] [Pg.105] [Pg.180] [Pg.421] [Pg.66] [Pg.321] [Pg.137] [Pg.392] [Pg.33] [Pg.82] [Pg.121] [Pg.142] [Pg.48] [Pg.53] [Pg.69] [Pg.676]

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Fingerprint

Fingerprint pharmacophoric

Fingerprinting

Fingerprints pharmacophore

Pharmacophor

Pharmacophore

Pharmacophores

Pharmacophores fingerprints

Pharmacophoric

Topological fingerprints

Topological pharmacophore

Topological pharmacophores