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Inductive descriptors

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The

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descriptors

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were

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developed

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by

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Dr.

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Artem

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Cherkasov.

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These

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descriptors

...

are

...

calculated

...

based

...

on

...

the

...

previous

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models

...

of

...

inductive

...

and

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steric

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effects,

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inductive

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electronegativity

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and

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molecular

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capacitance.

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These

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molecular

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parameters

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are

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easily

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accessible

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from

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electronegativities

...

and

...

covalent

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radii

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of

...

the

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constituent

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atoms

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and

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interatomic

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distances

...

and

...

can

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reflect

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a

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variety

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of

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aspects

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of

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intra-

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and

...

intermolecular

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interactions.

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The

...

descriptors

...

are

...

based

...

on

...

the

...

Linear

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Free

...

Energy

...

Relationships

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(LFER)

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equations

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for

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inductive

...

and

...

steric

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substituent

...

constants,

...

were

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implemented

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according

...

to

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Cherkasov.

...

These

...

descriptors

...

were

...

used

...

for

...

modeling

...

of

...

different

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physicochemical

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and

...

biological

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properties

...



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Cherkasov, A. Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks Int. J. Mol. Sci. 2005, 6, 63–86.

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