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Topological substructural molecular design

Quantitative structure-activity relationship Root mean square error Receiver-operating characteristic Recursive partitioning Support vector machine TOPological Substructural Molecular Design Topological polar surface area... [Pg.410]

A graph-theoretical approach called TOPological Substructural MOlecular DEsign (TOPS-MODE), previously called TOpological SubStructural MOlecular DEsign (TOSS-MODE), was... [Pg.246]

TOPS-MODE = TOPological Substructural Molecular DEsign edge adjacency matrix... [Pg.829]

TOSS-MODE = TOpological SubStructural Molecular DEsign —> edge adjacenqf matrix... [Pg.830]

Perez Gonzalez, M., Helguera Morales, A. and Collado, I.G. (2006) A topological substructural molecular design to predict soil sorption coefficients for pesticides. Mol Div., 10, 109-118. [Pg.1139]

See other pages where Topological substructural molecular design is mentioned: [Pg.539]    [Pg.12]    [Pg.457]    [Pg.422]    [Pg.829]    [Pg.539]    [Pg.12]    [Pg.457]    [Pg.422]    [Pg.829]    [Pg.81]    [Pg.127]    [Pg.480]    [Pg.81]    [Pg.339]    [Pg.323]    [Pg.115]    [Pg.178]    [Pg.12]    [Pg.230]    [Pg.217]    [Pg.217]    [Pg.4552]    [Pg.760]    [Pg.2755]   


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Molecular substructures

Molecular topological

Molecular topology

Substructural

Substructure

Topological substructural molecular design approach

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