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Atom Typing on Compound Registration

Each atom type can be associated with one or more center types, i.e., hydrogen bond donor, hydrogen bond acceptoi positively charged center. [Pg.73]

A query point can thus be defined intuitively, simply by allowing the drawn atom type to be equivalent to specified (additionally required) atom types. [Pg.74]


Define ligands in terms of chemical centers as described in the earlier section on atom typing on compound registration. [Pg.76]


See other pages where Atom Typing on Compound Registration is mentioned: [Pg.72]   


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Atom types

Atom typing

Compound registration

Compound types

Compounding types

Registration

Types atomic

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