hr
Hour(s)
HRMS
High-resolution mass spectrometry
HTS
High-throughput screening
IR
Infrared
kcal
Kilocalories
kJ
Kilojoules
LMOCV
Leave-many-out cross-validation
LOOCV
Leave-one-out cross-validation
M
Molarity
Min
Minute(s)
MLR
Multivariate linear regression
MM
Molecular mechanics
mol
Mole
NBO
Natural bond order
NBS
N-Bromosuccinimide
NMR
Nuclear magnetic resonance
OECD
Organization for Economic Co-operation and Development
OLS
Ordinary least squares regression
PA
Phosphate anion
PCA
Principal component analysis
PLS
Partial least squares regression
Q2MM
Quantum guided molecular mechanic
QM
Quantum mechanic
QSAR
Quantitative structure-activity relationship
QSSR
Quantitative structure-selectivity relationship
RMSE
Root-mean-square error
rt
Room temperature
SD
Standard deviation
TADDOL
α,α,α
0 ,α
0 -Tetraaryl-2,2-disubstituted
1,3-dioxolane-4,5dimethanol
TMS
Trimethyl silyl
TS
Transition states
UTS
Universal training set
UV-vis
Ultraviolet-visible spectroscopy
vs
Versus
XPS
X-ray photoelectron spectroscopy
1 Introduction: Chirality in Life and Medicine
The word ‘chiral’ originates from the Greek χείρ (cheir), meaning hand. It first
appeared in the scientific literature between 1884 and 1904, nearly 50 years after
Pasteur’s discovery of molecular stereochemistry was presented in 1848. Terms such
as chiral and chirality were coined by Sir William Thompson, who was ennobled in
Ligand Design for Asymmetric Catalysis: Combining Mechanistic and. . .
155
Hour(s)
HRMS
High-resolution mass spectrometry
HTS
High-throughput screening
IR
Infrared
kcal
Kilocalories
kJ
Kilojoules
LMOCV
Leave-many-out cross-validation
LOOCV
Leave-one-out cross-validation
M
Molarity
Min
Minute(s)
MLR
Multivariate linear regression
MM
Molecular mechanics
mol
Mole
NBO
Natural bond order
NBS
N-Bromosuccinimide
NMR
Nuclear magnetic resonance
OECD
Organization for Economic Co-operation and Development
OLS
Ordinary least squares regression
PA
Phosphate anion
PCA
Principal component analysis
PLS
Partial least squares regression
Q2MM
Quantum guided molecular mechanic
QM
Quantum mechanic
QSAR
Quantitative structure-activity relationship
QSSR
Quantitative structure-selectivity relationship
RMSE
Root-mean-square error
rt
Room temperature
SD
Standard deviation
TADDOL
α,α,α
0 ,α
0 -Tetraaryl-2,2-disubstituted
1,3-dioxolane-4,5dimethanol
TMS
Trimethyl silyl
TS
Transition states
UTS
Universal training set
UV-vis
Ultraviolet-visible spectroscopy
vs
Versus
XPS
X-ray photoelectron spectroscopy
1 Introduction: Chirality in Life and Medicine
The word ‘chiral’ originates from the Greek χείρ (cheir), meaning hand. It first
appeared in the scientific literature between 1884 and 1904, nearly 50 years after
Pasteur’s discovery of molecular stereochemistry was presented in 1848. Terms such
as chiral and chirality were coined by Sir William Thompson, who was ennobled in
Ligand Design for Asymmetric Catalysis: Combining Mechanistic and. . .
155