-
1
-
-
0025058613
-
Structure-Activity Correlations for Psychotomimetics. 1. Phenylalkylamines: Electronic, Volume, and Hydrophobicity Parameters
-
Clare, B. W. Structure-Activity Correlations for Psychotomimetics. 1. Phenylalkylamines: Electronic, Volume, and Hydrophobicity Parameters. J. Med. Chem. 1990, 33, 687-702.
-
(1990)
J. Med. Chem.
, vol.33
, pp. 687-702
-
-
Clare, B.W.1
-
2
-
-
15144354873
-
-
Clare, B. W. Unpublished observations
-
Clare, B. W. Unpublished observations.
-
-
-
-
3
-
-
84954901337
-
The Chemical Transcendent State
-
Stillman, R. C., Willette, R. E., Eds.; Pergamon: New York
-
Cohen, S. The Chemical Transcendent State. In The Psychopharmacology of Hallucinogens, Stillman, R. C., Willette, R. E., Eds.; Pergamon: New York, 1978; pp 324-329.
-
(1978)
The Psychopharmacology of Hallucinogens
, pp. 324-329
-
-
Cohen, S.1
-
4
-
-
78649948450
-
The Psychotomimetic Agents
-
Cohen, S. The Psychotomimetic Agents. Arzneim Forsch 1970, 15, 68-102.
-
(1970)
Arzneim Forsch
, vol.15
, pp. 68-102
-
-
Cohen, S.1
-
5
-
-
0000124501
-
Psychotomimetic Drugs: Structure-Activity Relationships
-
Iversen, L. L., Iversen, S. D., Snyder S. H., Eds.; Plenum: New York
-
Shulgin, A. T. Psychotomimetic Drugs: Structure-Activity Relationships. In Handbook of Psychopharmacology; Iversen, L. L., Iversen, S. D., Snyder S. H., Eds.; Plenum: New York, 1980; Vol. 11, pp 243-333.
-
(1980)
Handbook of Psychopharmacology
, vol.11
, pp. 243-333
-
-
Shulgin, A.T.1
-
7
-
-
0003955395
-
-
Oxford University Press: Oxford
-
Coulson, C. A. Valence; 2nd ed.; Oxford University Press: Oxford, 1961; p 254.
-
(1961)
Valence; 2nd Ed.
, pp. 254
-
-
Coulson, C.A.1
-
8
-
-
0004191185
-
-
Available from Hypercube, Inc., 1115 NW 4th St., Gainesville, FL 32601-4256
-
Hyperchem v. 5.1, Available from Hypercube, Inc., 1115 NW 4th St., Gainesville, FL 32601-4256.
-
Hyperchem V. 5.1
-
-
-
9
-
-
0004326444
-
-
available from Wolfram Research International, 100 Trade Center Dr., Champaign, IL 61820
-
Mathematica v. 3.0, available from Wolfram Research International, 100 Trade Center Dr., Champaign, IL 61820.
-
Mathematica V. 3.0
-
-
-
10
-
-
15144358069
-
-
File angle.zip at site ftp://central.murdoch.edu.au/pub/chem/ clare.
-
-
-
-
11
-
-
0010255188
-
-
Available from Serena Software, Box 3076, Bloomington, IN 47402-3076
-
PCMODEL v. 5.0, Available from Serena Software, Box 3076, Bloomington, IN 47402-3076.
-
PCMODEL V. 5.0
-
-
-
12
-
-
0001888675
-
MOPAC: A general molecular orbital package, version 6.0
-
Stewart, J. J. P. MOPAC: A general molecular orbital package, version 6.0. QCPE Bull. 1990, 10, 86-87.
-
(1990)
QCPE Bull.
, vol.10
, pp. 86-87
-
-
Stewart, J.J.P.1
-
13
-
-
0842341771
-
AMI: A new general purpose quantum mechanical model
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. AMI: A new general purpose quantum mechanical model. J. Am. Chem. Soc. 1985, 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
14
-
-
0003847629
-
-
Fujitsu Ltd., Tokyo, Japan
-
(14) MOPAC 93.00 (1993) Stewart, J. J. P.. Fujitsu Ltd., Tokyo, Japan, also Stewart, J. J. P. MOPAC93 Release 2. QCPE Bull. 1995, 15, 13-14 (Copyright Fujitsu 1993, all rights reserved).
-
(1993)
MOPAC 93.00
-
-
Stewart, J.J.P.1
-
15
-
-
0001935032
-
MOPAC93 Release 2
-
Copyright Fujitsu 1993, all rights reserved
-
MOPAC 93.00 (1993) Stewart, J. J. P.. Fujitsu Ltd., Tokyo, Japan, also Stewart, J. J. P. MOPAC93 Release 2. QCPE Bull. 1995, 15, 13-14 (Copyright Fujitsu 1993, all rights reserved).
-
(1995)
QCPE Bull.
, vol.15
, pp. 13-14
-
-
Stewart, J.J.P.1
-
16
-
-
84961980743
-
COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt, A.; Shüürman, G. COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc., Perkin Trans 2 1993, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans 2
, pp. 799-805
-
-
Klamt, A.1
Shüürman, G.2
-
17
-
-
0010229634
-
-
Available from BMDP Statistical Software, Inc., 1440 Sepulveda Boulevard, Suite 316, Los Angeles, CA 90025
-
BMDP Dynamic, Release 7. Available from BMDP Statistical Software, Inc., 1440 Sepulveda Boulevard, Suite 316, Los Angeles, CA 90025.
-
BMDP Dynamic, Release 7
-
-
-
18
-
-
0342998260
-
Alternating conditional expectations in QSAR
-
Mannhold R., Krogsgaard-Larsen P., Timmerman H., Eds.; VCH: Weinheim
-
(17) Clare, B. W. Alternating conditional expectations in QSAR. In Methods and Principles in Medicinal Chemistry; Mannhold R., Krogsgaard-Larsen P., Timmerman H., Eds.; VCH: Weinheim, 1994; Vol. 3. Advanced Computer-Assisted Techniques in Drug Discovery; van de Waterbeemd, H., Ed. pp 284-289.
-
(1994)
Methods and Principles in Medicinal Chemistry
-
-
Clare, B.W.1
-
19
-
-
15144360089
-
-
Clare, B. W. Alternating conditional expectations in QSAR. In Methods and Principles in Medicinal Chemistry; Mannhold R., Krogsgaard-Larsen P., Timmerman H., Eds.; VCH: Weinheim, 1994; Vol. 3. Advanced Computer-Assisted Techniques in Drug Discovery; van de Waterbeemd, H., Ed. pp 284-289.
-
Advanced Computer-Assisted Techniques in Drug Discovery
, vol.3
, pp. 284-289
-
-
Van De Waterbeemd, H.1
-
20
-
-
0027506718
-
Structure-activity correlations for psychotomimetics. 2. Phenylalkylamines: A treatment of nonlinearity using the alternating conditional expectation technique
-
Clare, B. W. Structure-activity correlations for psychotomimetics. 2. Phenylalkylamines: a treatment of nonlinearity using the alternating conditional expectation technique Chemom. Intell. Lab. Syst. 1993, 18, 71-93.
-
(1993)
Chemom. Intell. Lab. Syst.
, vol.18
, pp. 71-93
-
-
Clare, B.W.1
-
21
-
-
0016128505
-
Regression by leaps and bounds
-
Furnival, G. M.; Wilson R. W. Regression by leaps and bounds. Technometrics 1974, 16, 499-511.
-
(1974)
Technometrics
, vol.16
, pp. 499-511
-
-
Furnival, G.M.1
Wilson, R.W.2
-
25
-
-
0001878035
-
Multiple Regression Analysis
-
Ralston, A., Wilf, H. S., Eds.; Wiley: New York
-
Efroymson, M. A. Multiple Regression Analysis. In Mathematical Methods for Digital Computers; Ralston, A., Wilf, H. S., Eds.; Wiley: New York, 1962; p 191.
-
(1962)
Mathematical Methods for Digital Computers
, pp. 191
-
-
Efroymson, M.A.1
-
26
-
-
0015417054
-
Chance correlations in structure activity studies using multiple regression analysis
-
Topliss, J. G.; Costello, R. J. Chance correlations in structure activity studies using multiple regression analysis. J. Med. Chem. 1972, 15, 1066-1068.
-
(1972)
J. Med. Chem.
, vol.15
, pp. 1066-1068
-
-
Topliss, J.G.1
Costello, R.J.2
-
27
-
-
0018709674
-
Chance Factors in Studies of Quantitative Structure-Activity Relationships
-
Topliss, J. G.; Edwards, R. J. Chance Factors in Studies of Quantitative Structure-Activity Relationships. J. Med. Chem. 1979, 22, 1238-1244.
-
(1979)
J. Med. Chem.
, vol.22
, pp. 1238-1244
-
-
Topliss, J.G.1
Edwards, R.J.2
-
28
-
-
84950771789
-
Estimating optimal transformations for multiple regression and correlation
-
Breiman, L.; Friedman, J. H. Estimating optimal transformations for multiple regression and correlation. J. Am. Statist. Assoc. 1985, 80, 580-619.
-
(1985)
J. Am. Statist. Assoc.
, vol.80
, pp. 580-619
-
-
Breiman, L.1
Friedman, J.H.2
-
29
-
-
0014850207
-
Steric and electronic relationships among some hallucinogenic compounds
-
Kang, S.; Green, J. P. Steric and electronic relationships among some hallucinogenic compounds. Proc. Natl. Acad. Sci. U.S. A. 1970, 67, 62-67.
-
(1970)
Proc. Natl. Acad. Sci. U.S. A.
, vol.67
, pp. 62-67
-
-
Kang, S.1
Green, J.P.2
-
30
-
-
0018692295
-
Steric effects of substituents on phenethylamine hallucinogens. 3,4-Methylenedioxyamphetamine analogues alkylated on the dioxole ring
-
Nichols, D. E.; Kostuba, L. J. Steric effects of substituents on phenethylamine hallucinogens. 3,4-Methylenedioxyamphetamine analogues alkylated on the dioxole ring. J. Med. Chem. 1979, 22, 1264-1267.
-
(1979)
J. Med. Chem.
, vol.22
, pp. 1264-1267
-
-
Nichols, D.E.1
Kostuba, L.J.2
-
31
-
-
0017712693
-
Directional lipophilic character in a series of psychotomimetic phenethylamine derivatives
-
Nichols, D. E.; Shulgin, A. T. Directional lipophilic character in a series of psychotomimetic phenethylamine derivatives. Life Sci. 1977, 21, 569-576.
-
(1977)
Life Sci.
, vol.21
, pp. 569-576
-
-
Nichols, D.E.1
Shulgin, A.T.2
-
32
-
-
0016441239
-
Correlations of psychotomimetic activity of phenethylamines and amphetamines with 1-octanol/ water partition coefficients
-
Barfknecht, C. F.; Nichols, D. E. Correlations of psychotomimetic activity of phenethylamines and amphetamines with 1-octanol/ water partition coefficients. J. Med. Chem. 1975, 18, 208-210.
-
(1975)
J. Med. Chem.
, vol.18
, pp. 208-210
-
-
Barfknecht, C.F.1
Nichols, D.E.2
-
33
-
-
0013787651
-
A relationship between the psychotomimetic activity of drugs and their electronic structure
-
Snyder, S. H.; Merril, C. R. A relationship between the psychotomimetic activity of drugs and their electronic structure. Proc. Natl. Acad. Sci. U.S.A. 1965, 54, 258-266.
-
(1965)
Proc. Natl. Acad. Sci. U.S.A.
, vol.54
, pp. 258-266
-
-
Snyder, S.H.1
Merril, C.R.2
-
34
-
-
0347291894
-
Absolute hardness: Companion property to absolute electronegativity
-
Parr, R. G.; Pearson, R. G. Absolute hardness: companion property to absolute electronegativity. J. Am. Chem. Soc. 1983, 105, 7512-7516.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7512-7516
-
-
Parr, R.G.1
Pearson, R.G.2
-
35
-
-
0011848718
-
The relationship of charge-transfer complexes to frontier orbital energies in QSAR
-
Clare, B. W. The relationship of charge-transfer complexes to frontier orbital energies in QSAR. J. Mol. Struct. (THEOCHEM) 1995, 331, 63-78.
-
(1995)
J. Mol. Struct. (THEOCHEM)
, vol.331
, pp. 63-78
-
-
Clare, B.W.1
-
36
-
-
0001648985
-
Charge-transfer complexes and frontier orbital energies in QSAR: A congeneric series of electron acceptors
-
Clare, B. W. Charge-transfer complexes and frontier orbital energies in QSAR: a congeneric series of electron acceptors. J. Mol. Struct. (THEOCHEM) 1995, 337, 139-150.
-
(1995)
J. Mol. Struct. (THEOCHEM)
, vol.337
, pp. 139-150
-
-
Clare, B.W.1
-
37
-
-
0001460741
-
Frontier orbital energies in quantitative structure-activity relationships: A comparison of quantum chemical methods
-
Clare, B. W. Frontier orbital energies in quantitative structure-activity relationships: A comparison of quantum chemical methods. Theor. Chim. Acta 1994, 87, 415-430.
-
(1994)
Theor. Chim. Acta
, vol.87
, pp. 415-430
-
-
Clare, B.W.1
-
41
-
-
0001147877
-
Correlations of sums or differences
-
Spearman, C. Correlations of sums or differences. Br. J. Psychol, 1913, 5, 417-426.
-
(1913)
Br. J. Psychol
, vol.5
, pp. 417-426
-
-
Spearman, C.1
|