Topological descriptors

Various topological descriptors

Bonchev, D. & Rouvray, D.H. Eds. (1991). Chemical Graph Theory. Gordon&Breach, NewYork (NY)

Trinajstic, N. (1992). Chemical Graph Theory. CRC Press, Boca Raton (FL) Devillers, J. & Balaban, A.T. Eds. (2000). Topological Indices and Related Descriptors in QSAR and Drug Design. Gordon&Breach, Amsterdam

Zagreb indices

Gutman, I., Ruscic, B., Trinajstic, N. & Wilcox Jr, C.F. (1975). J.Chem.Phys., 62, 3399-3405

BAC, Lop, Qindex

Balaban, A.T. (1979). Theor.Chim.Acta, 53, 355-375

SNar, HNar, GNar

Narumi, H. (1987). MATCH (Comm.Math.Comp.Chem.), 22, 195-207

Xt

Needham, D.E., Wei, I.C. & Seybold, P.G. (1988). J.Am.Chem.Soc., 110, 4186-4194

Dz

Pogliani, L. (1996). J.Phys.Chem., 100, 18065-18077

Ram

Araujo, O. & De La Peña, J.A. (1998). J.Chem.Inf.Comput.Sci., 38, 827-831

Pol

Platt, J.R. (1947). J.Chem.Phys., 15, 419-420

LPRS

Schultz, H.P., Schultz, E.B. & Schultz, T.P. (1992). J.Chem.Inf.Comput.Sci., 32, 69-72

MSD

Balaban, A.T. (1983). Pure & Appl.Chem., 55, 199-206

SMTI

Schultz, H.P. (1989). J.Chem.Inf.Comput.Sci., 29, 227-228

GMTI

Gutman, I. (1994). J.Chem.Inf.Comput.Sci., 34, 1087-1089

Xu

Ren, B. (1999). J.Chem.Inf.Comput.Sci., 39, 139-143

SPI

Gupta, S., Singh, M. & Madan, A.K. (1999). J.Chem.Inf.Comput.Sci., 39, 272-277

W

Wiener, H. (1947). J.Am.Chem.Soc., 69, 17-20

Har, Har2, RDCHI, RDSQ

Ivanciuc, O., Balaban, T.-S. & Balaban, A.T. (1993). J.Math.Chem., 12, 309-318

QW

Mohar, B., Babic, D. & Trinajstic, N. (1993). J.Chem.Inf.Comput.Sci., 33, 153-154

T1, T2, STN

Mohar, B. (1989). MATH/CHEM/COMP 1988 (Graovac, A., ed.), Elsevier, Amsterdam (The Netherlands)

HyDp, ww

Diudea, M.V. (1996). J.Chem.Inf.Comput.Sci., 36, 535-540

w

Amic, D. & Trinajstic, N. (1995). Croat.Chem.Acta, 68, 53-62

Har, RHyDp, Rww

Diudea, M.V. (1997). J.Chem.Inf.Comput.Sci., 37, 292-299

D/D, D/D ring indices

Randic, M. (1997). J.Chem.Inf.Comput.Sci., 37, 1063-1071

Wap

Lukovits, I. (1998). J.Chem.Inf.Comput.Sci., 38, 125-129

J

Balaban, A.T. (1982). Chem.Phys.Lett., 89, 399-404

WhetZ, JhetZ

Barysz, M., Jashari, G., Lall, R.S., Srivastava, A.K. & Trinajstic, N. (1983). Chemical Applications of Topology and Graph Theory (King,R.B., ed.), Elsevier, Amsterdam, pp. 222-230

S0K

Kier, L.B. (1987). Quant.Struct.-Act.Relat., 6, 8-12

S1K, S2K, S3K

Kier, L.B. (1985). Quant.Struct.-Act.Relat., 4, 109-116

PHI

Kier, L.B. (1989). Quant.Struct.-Act.Relat., 8, 221-224

BLI

Kier, L.B. & Hall, L.H. (1986). Molecular Connectivity in Structure-Activity Analysis. RSP-Wiley, Chichester (UK)

PW2, PW3, PW4, PW5

Randic, M. (2001). J.Chem.Inf.Comput.Sci., 41, 607-613

PJI2

Petitjean, M. (1992). J.Chem.Inf.Comput.Sci., 32, 331-337

CSI

Sharma, V., Goswami, R. & Madan, A.K. (1997). J.Chem.Inf.Comput.Sci., 37, 273-282

VDA, TECC, AECC, DECC, MDDD, UNIP, CENT, VAR

E.V.Kostantinova (1997). J.Chem.Inf.Comp.Sci., 36, 54-57

VDA, TECC, AECC, DECC, MDDD, UNIP, CENT

Skorobogatov, V.A. and Dobrynin, A.A. (1988). MATCH (Comm.Math.Comp.Chem.), 23, 105-151

VAR

Entiger, R.C., Jackson, D.E. and Snyder, D.A. (1976). Czech.Math.J., 26, 283-296

TIE

Voelkel, A. (1994). Computers Chem., 18, 1-4

MAXDN, MAXDP, DELS

Gramatica, P., Corradi, M., Consonni, V. (2000). Chemosphere, 41, 763-777

Various topological descriptors	Bonchev, D. & Rouvray, D.H. Eds. (1991). Chemical Graph Theory. Gordon&Breach, NewYork (NY) Trinajstic, N. (1992). Chemical Graph Theory. CRC Press, Boca Raton (FL) Devillers, J. & Balaban, A.T. Eds. (2000). Topological Indices and Related Descriptors in QSAR and Drug Design. Gordon&Breach, Amsterdam
Zagreb indices	Gutman, I., Ruscic, B., Trinajstic, N. & Wilcox Jr, C.F. (1975). J.Chem.Phys., 62, 3399-3405
BAC, Lop, Qindex	Balaban, A.T. (1979). Theor.Chim.Acta, 53, 355-375
SNar, HNar, GNar	Narumi, H. (1987). MATCH (Comm.Math.Comp.Chem.), 22, 195-207
Xt	Needham, D.E., Wei, I.C. & Seybold, P.G. (1988). J.Am.Chem.Soc., 110, 4186-4194
Dz	Pogliani, L. (1996). J.Phys.Chem., 100, 18065-18077
Ram	Araujo, O. & De La Peña, J.A. (1998). J.Chem.Inf.Comput.Sci., 38, 827-831
Pol	Platt, J.R. (1947). J.Chem.Phys., 15, 419-420
LPRS	Schultz, H.P., Schultz, E.B. & Schultz, T.P. (1992). J.Chem.Inf.Comput.Sci., 32, 69-72
MSD	Balaban, A.T. (1983). Pure & Appl.Chem., 55, 199-206
SMTI	Schultz, H.P. (1989). J.Chem.Inf.Comput.Sci., 29, 227-228
GMTI	Gutman, I. (1994). J.Chem.Inf.Comput.Sci., 34, 1087-1089
Xu	Ren, B. (1999). J.Chem.Inf.Comput.Sci., 39, 139-143
SPI	Gupta, S., Singh, M. & Madan, A.K. (1999). J.Chem.Inf.Comput.Sci., 39, 272-277
W	Wiener, H. (1947). J.Am.Chem.Soc., 69, 17-20
Har, Har2, RDCHI, RDSQ	Ivanciuc, O., Balaban, T.-S. & Balaban, A.T. (1993). J.Math.Chem., 12, 309-318
QW	Mohar, B., Babic, D. & Trinajstic, N. (1993). J.Chem.Inf.Comput.Sci., 33, 153-154
T1, T2, STN	Mohar, B. (1989). MATH/CHEM/COMP 1988 (Graovac, A., ed.), Elsevier, Amsterdam (The Netherlands)
HyDp, ww	Diudea, M.V. (1996). J.Chem.Inf.Comput.Sci., 36, 535-540
w	Amic, D. & Trinajstic, N. (1995). Croat.Chem.Acta, 68, 53-62
Har, RHyDp, Rww	Diudea, M.V. (1997). J.Chem.Inf.Comput.Sci., 37, 292-299
D/D, D/D ring indices	Randic, M. (1997). J.Chem.Inf.Comput.Sci., 37, 1063-1071
Wap	Lukovits, I. (1998). J.Chem.Inf.Comput.Sci., 38, 125-129
J	Balaban, A.T. (1982). Chem.Phys.Lett., 89, 399-404
WhetZ, JhetZ	Barysz, M., Jashari, G., Lall, R.S., Srivastava, A.K. & Trinajstic, N. (1983). Chemical Applications of Topology and Graph Theory (King,R.B., ed.), Elsevier, Amsterdam, pp. 222-230
S0K	Kier, L.B. (1987). Quant.Struct.-Act.Relat., 6, 8-12
S1K, S2K, S3K	Kier, L.B. (1985). Quant.Struct.-Act.Relat., 4, 109-116
PHI	Kier, L.B. (1989). Quant.Struct.-Act.Relat., 8, 221-224
BLI	Kier, L.B. & Hall, L.H. (1986). Molecular Connectivity in Structure-Activity Analysis. RSP-Wiley, Chichester (UK)
PW2, PW3, PW4, PW5	Randic, M. (2001). J.Chem.Inf.Comput.Sci., 41, 607-613
PJI2	Petitjean, M. (1992). J.Chem.Inf.Comput.Sci., 32, 331-337
CSI	Sharma, V., Goswami, R. & Madan, A.K. (1997). J.Chem.Inf.Comput.Sci., 37, 273-282
VDA, TECC, AECC, DECC, MDDD, UNIP, CENT, VAR	E.V.Kostantinova (1997). J.Chem.Inf.Comp.Sci., 36, 54-57
VDA, TECC, AECC, DECC, MDDD, UNIP, CENT	Skorobogatov, V.A. and Dobrynin, A.A. (1988). MATCH (Comm.Math.Comp.Chem.), 23, 105-151
VAR	Entiger, R.C., Jackson, D.E. and Snyder, D.A. (1976). Czech.Math.J., 26, 283-296
TIE	Voelkel, A. (1994). Computers Chem., 18, 1-4
MAXDN, MAXDP, DELS	Gramatica, P., Corradi, M., Consonni, V. (2000). Chemosphere, 41, 763-777