Podcast
Questions and Answers
Which molecular descriptor is based on the simple count of features?
Which molecular descriptor is based on the simple count of features?
- Dipole Moment
- Hydrophobicity
- Ring systems (correct)
- London Dispersion Forces
What is the purpose of molecular descriptors?
What is the purpose of molecular descriptors?
- To represent the 2D structure of a molecule
- To manipulate and analyze chemical structural information (correct)
- To determine the activity and transport of drugs
- To calculate the physicochemical properties of a molecule
Which property is important in determining the activity and transport of drugs?
Which property is important in determining the activity and transport of drugs?
- Hydrophobicity (correct)
- Octanol-water partition coefficient
- Molecular weight
- Hydrogen bond acceptors
Which of the following is an example of a molecular walk count?
Which of the following is an example of a molecular walk count?
Which type of fingerprints are not directly interpretable?
Which type of fingerprints are not directly interpretable?
What do pharmacophore keys encode?
What do pharmacophore keys encode?
What is the purpose of 3D Fragment Screens?
What is the purpose of 3D Fragment Screens?
Which method is commonly used to model the partition coefficient between n-octanol and water?
Which method is commonly used to model the partition coefficient between n-octanol and water?
What is the advantage of the fragment-based approach in estimating log P?
What is the advantage of the fragment-based approach in estimating log P?
What is the formula for calculating the molar refractivity (MR)?
What is the formula for calculating the molar refractivity (MR)?
Which type of indices can be calculated from the distance matrix of a molecule?
Which type of indices can be calculated from the distance matrix of a molecule?
What is the coefficient of variation?
What is the coefficient of variation?
What is the purpose of scaling data in data analysis?
What is the purpose of scaling data in data analysis?
What is the range of values for the correlation coefficient?
What is the range of values for the correlation coefficient?
Which program provides access to several hundred different E-state descriptors?
Which program provides access to several hundred different E-state descriptors?
What is the definition of the perturbation ΔIij?
What is the definition of the perturbation ΔIij?
How can atomic E-states be combined into a whole-molecule descriptor?
How can atomic E-states be combined into a whole-molecule descriptor?
Which term is used to describe the new variables that are a linear combination of the original variables?
Which term is used to describe the new variables that are a linear combination of the original variables?
What is the purpose of introducing principal components?
What is the purpose of introducing principal components?
Which of the following is true about the degree of an atom in a molecule?
Which of the following is true about the degree of an atom in a molecule?
What is the formula for calculating the simple delta value (δi) for an atom?
What is the formula for calculating the simple delta value (δi) for an atom?
What is the formula for calculating the valence delta value (δiv) for an atom?
What is the formula for calculating the valence delta value (δiv) for an atom?
What is the formula for calculating the first-order kappa index for a molecule?
What is the formula for calculating the first-order kappa index for a molecule?
