. Author manuscript; available in PMC: 2017 Jul 13.

Published in final edited form as: Chem Rev. 2016 May 17;116(13):7501–7528. doi: 10.1021/acs.chemrev.5b00644

Table 1.

List of Polarization Models and Fitting Methodology for Various Implicit Polarizable Water Models^a

model	polarization model				data used in the fitting procedure

	inducible dipole	inducible quadrupole	drude oscillator	electronegativity equalization	ab initio	experimental
Stillinger and David¹²⁷	+				+	+
polarizable electrupole⁸³	+			+	+	+
Lybrand and Kollman¹²⁸	+				+	+
Pol3¹²⁹	+				+	+
SCP-POL¹³⁰				+	+	+
TIP4P-POL¹³⁰				+	+	+
T4NN¹³¹				+	+
POL5¹³²	+			^a	+
OSS¹³³	+				+
SWM4-DP(NDP)^128,129			+		+
SWM6¹³⁶			+		+	+
COS^137–139			+			+
BK3¹⁴⁰			+		+	+
AMOEBA^32,135,136	+				+	+
iAMOEBA¹⁴³	+				+	+
AMOEBA14²⁹⁴	+				+	+
AMOEBA/GEM-DM¹⁴⁶	+				+	+
Campbell and Mezey¹⁴⁹	+				+
Yoon²⁵	+				+
MCY(MCYna)¹⁵⁰	+ (+)				+ (+)
NEMO^151–157	+				+
X-POL^158–161					+
QCT^162–165				^a	+
Singh-Kollman¹⁶⁷	+				+
EFP^168–172	+				+
SIBFA^175–177	+				+
GEM*^{172–174,176–178,182}	+				+
TTM2^192–196	+				+
TTM3-F⁴⁰	+				+	+
TTM4-F⁴¹	+				+	+
DDP2²⁰⁶	+				+
POLIR²⁰⁷	+				+	+
POLI2VS²⁰⁸	+				+	+
ASP-W^202,203	+	+			+
VRT(ASP-W)III^204,205	+	+			+	+
SCME²¹³	+	+			+

The polarization model relies on machine learning.