-
2
-
-
0346057738
-
-
b. Clark, R.D., Ferguson, A.M. and Cramer, R.D., Perspect. Drug Discov. Design, 9-11 (1998) 213.
-
(1998)
Perspect. Drug Discov. Design
, vol.9-11
, pp. 213
-
-
Clark, R.D.1
Ferguson, A.M.2
Cramer, R.D.3
-
5
-
-
0002606755
-
-
Walters, W.P., Stahl, M.T. and Murcko, M.A., Drug Discov. Today, 3 (1998) 160.
-
(1998)
Drug Discov. Today
, vol.3
, pp. 160
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
7
-
-
0002336415
-
-
von Ragué Schleyer, P. (Ed.) Wiley, New York, NY
-
Walters, W.P., Stahl, M.T. and Murcko, M.A., in von Ragué Schleyer, P. (Ed.) Encyclopedia of Computational Chemistry, Vol. 2, Wiley, New York, NY, 1998, pp. 1225-1237.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.2
, pp. 1225-1237
-
-
Walters, W.P.1
Stahl, M.T.2
Murcko, M.A.3
-
8
-
-
0343872630
-
-
The MDDR database is developed in cooperation with Prous Science Publishers, http://www.prous.com/index.html. Our MDDR subset contains 82903 structures
-
Available from MDL Information Systems, http://www.mdli.com/dats/pharmdb.html. The MDDR database is developed in cooperation with Prous Science Publishers, http://www.prous.com/index.html. Our MDDR subset contains 82903 structures.
-
-
-
-
9
-
-
0343436861
-
-
FALERT is based on Current Drug's patent coverage of therapeutic compounds
-
Available from Current Drugs, http://www.current-drugs.com/products/iddb/idpfast.html. FALERT is based on Current Drug's patent coverage of therapeutic compounds.
-
-
-
-
10
-
-
0343001267
-
-
Available from MDL Information Systems, http://www.mdli.com/dats/pharmdb.html.
-
-
-
-
13
-
-
0343436859
-
-
The ACD database is a compilation of over 250000 commercially available substances from over 500 catalogs worldwide. Our ACD subset contains 194511 structures
-
Available from MDL Information Systems, http://www.mdli.com/dats/pharmdb.html. The ACD database is a compilation of over 250000 commercially available substances from over 500 catalogs worldwide. Our ACD subset contains 194511 structures.
-
-
-
-
14
-
-
0003780442
-
-
6 Volumes, in Hansch, C. (Ed.) Pergamon Press, London
-
Comprehensive Medicinal Chemistry, 6 Volumes, in Hansch, C. (Ed.) Pergamon Press, London, 1990.
-
(1990)
Comprehensive Medicinal Chemistry
-
-
-
15
-
-
0031024171
-
-
Lipinski, C.A., Lombardo, F., Dominy, B.W. and Feeney, P.J., Adv. Drug Deliv. Rev., 23 (1997) 3.
-
(1997)
Adv. Drug Deliv. Rev.
, vol.23
, pp. 3
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
16
-
-
0343436858
-
-
CLOGP is included in the PCMODELS 4.6 program, available from Daylight Chemical Information Systems
-
CLOGP is included in the PCMODELS 4.6 program, available from Daylight Chemical Information Systems, http://www.daylight.com/products/pcmodels.html.
-
-
-
-
19
-
-
0343001263
-
-
Available from Daylight Chemical Information Systems, http://www.daylight.com.
-
-
-
-
21
-
-
0343872625
-
-
The MDDR file was extracted using the October 1998 version of MDDR (82903 structures). MDDRF was extracted using the July 99 version of MDDR, that contained 103690 entries, of which 78772 were included in MDDRF
-
The MDDR file was extracted using the October 1998 version of MDDR (82903 structures). MDDRF was extracted using the July 99 version of MDDR, that contained 103690 entries, of which 78772 were included in MDDRF.
-
-
-
-
23
-
-
0000144685
-
-
von Ragué Schleyer, P. (Ed.) Wiley, New York, NY
-
Downs, G.M., in von Ragué Schleyer, P. (Ed.) Encyclopedia of Computational Chemistry, Vol. 4, Wiley, New York, NY, 1998, pp. 2509-2515.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.4
, pp. 2509-2515
-
-
Downs, G.M.1
-
24
-
-
0007182445
-
-
Nicholas Brealy Publishers, London
-
Koch, R., The 80/20 Principle, Nicholas Brealy Publishers, London, 1997.
-
(1997)
The 80/20 Principle
-
-
Koch, R.1
-
25
-
-
0003023493
-
Exploring QSAR
-
ACS, Washington, DC
-
a. Hansch, C. and Leo, A., Exploring QSAR. Fundamentals and Applications in Chemistry and Biology, ACS, Washington, DC, 1995, pp. 125-168.
-
(1995)
Fundamentals and Applications in Chemistry and Biology
, pp. 125-168
-
-
Hansch, C.1
Leo, A.2
-
26
-
-
0343872622
-
-
See the Biobyte webpage for a detailed analysis of the CLOGP accuracy
-
b. See the Biobyte webpage for a detailed analysis of the CLOGP accuracy, http://clogp.pomona.edu/medchem/ chem/clogp/starlist/index.html.
-
-
-
-
27
-
-
0031531210
-
-
Lipkowitz, K.B. and Boyd, D.B. (Eds) Wiley-VCH, New York, NY, see the reference 138 in particular
-
Oprea, T.I. and Waller, C.L., in Lipkowitz, K.B. and Boyd, D.B. (Eds) Reviews in Computational Chemistry, Vol. 11, Wiley-VCH, New York, NY, 1997, pp. 127-182, see the reference 138 in particular.
-
(1997)
Reviews in Computational Chemistry
, vol.11
, pp. 127-182
-
-
Oprea, T.I.1
Waller, C.L.2
-
30
-
-
0343872620
-
-
for instances where LogP and LogD differ significantly
-
See the ACD Labs web site, http://www.acdlabs.com/ for instances where LogP and LogD differ significantly.
-
-
-
-
31
-
-
0343001259
-
Optimization of the drug-likeness of chemical libraries
-
Schloss Rauischolshausen, March
-
Sadowski, J., Optimization of the drug-likeness of chemical libraries. International workshop on virtual screening, Schloss Rauischolshausen, March 1999.
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(1999)
International Workshop on Virtual Screening
-
-
Sadowski, J.1
-
32
-
-
0030987236
-
-
and references therein
-
Oprea, T.I., Hummer, G. and García, A.E., Proc. Natl. Acad. Sci. USA, 94 (1997) 2133 and references therein.
-
(1997)
Proc. Natl. Acad. Sci. USA
, vol.94
, pp. 2133
-
-
Oprea, T.I.1
Hummer, G.2
García, A.E.3
-
33
-
-
0002769936
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-
Hardman, J.G., Limbird, L.E., Molinoff, P.B., Ruddon, R.W. and Goodman Gilman, A. (Eds) McGraw-Hill, New York, NY
-
Benet, L.Z., Kroetz, D.L. and Sheiner, L.B., in Hardman, J.G., Limbird, L.E., Molinoff, P.B., Ruddon, R.W. and Goodman Gilman, A. (Eds) Goodman & Gilman's Pharmacological Basis of Therapeutics, 9th Edition, McGraw-Hill, New York, NY, 1996, pp. 3-28.
-
(1996)
Goodman & Gilman's Pharmacological Basis of Therapeutics, 9th Edition
, pp. 3-28
-
-
Benet, L.Z.1
Kroetz, D.L.2
Sheiner, L.B.3
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