Chapter 9 MCQs

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. Which of the following would NOT be regarded as part of the science of informatics?

Storage of information about chemical properties correct incorrect

Storage of information about physical properties correct incorrect

Storage of information about synthetic methods correct incorrect

Storage of information about chemical structures correct incorrect

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. Which of the following SMILES codes does NOT represent a cyclic structure?

C1CCCCC1 correct incorrect

CC(=O)OC(C)(C)C correct incorrect

O1CCOCC1 correct incorrect

n1CCCCC1 correct incorrect

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. Which of the following databases CANNOT be used to store 3D structures?

SMILES correct incorrect

Alchemy correct incorrect

Sybyl correct incorrect

Chem3D correct incorrect

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. A QSAR study is only valid if

it comprises of two inputs: biological data and physicochemical parameters. correct incorrect

it involves a group of closely related structures. correct incorrect

it involves an appropriate number of structures. correct incorrect

it predicts the activity of new molecules, not within the original data set. correct incorrect

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. In order to be used in a QSAR study, biological data must

use information from the same biological test system. correct incorrect

have been obtained in the same laboratory. correct incorrect

have been produced by the same operator. correct incorrect

use a quantitative measure of potency. correct incorrect

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. Which of the following is NOT a hydrophobic parameter?

Partition coefficient (P) correct incorrect

Log P correct incorrect

Substituent constant (Π) correct incorrect

Molecular connectivity correct incorrect

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. Which of the following is NOT an electronic parameter?

Hammett substituent constant correct incorrect

Molecular connectivity correct incorrect

Dipole moment correct incorrect

HOMO/LUMO correct incorrect

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. Which of the following is NOT usually used as a steric parameter?

Molecular surface area correct incorrect

Molar volume correct incorrect

Relative molecular mass correct incorrect

Taft's steric parameter correct incorrect

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. Which of the following is NOT a useful statistical indicator of the goodness of fit of a regression analysis equation?

Regression coefficient (r) correct incorrect

r² correct incorrect

Standard error (s) correct incorrect

F tests correct incorrect

* not completed

. Which of the following is NOT used by molecular modelling software packages?

Relative molecular mass correct incorrect

Bond angles correct incorrect

Bond lengths correct incorrect

Torsion angles correct incorrect