-
3
-
-
0000128455
-
-
I.B. Bersuker, A.S. Dimoglo, M.Yu. Gorbachov, P.F. Vlad and M. Pesaro, New J. Chem. 15 (1991) 307-320.
-
(1991)
New J. Chem.
, vol.15
, pp. 307-320
-
-
Bersuker, I.B.1
Dimoglo, A.S.2
Gorbachov, M.Yu.3
Vlad, P.F.4
Pesaro, M.5
-
4
-
-
26844473590
-
Introduction: A review of QSAR methodology
-
J.G. Topliss, ed., Academic Press, New York
-
C.J. Blankley, Introduction: a review of QSAR methodology, in: J.G. Topliss, ed., Quantitative Structure-Activity Relationships of Drugs (Academic Press, New York, 1983).
-
(1983)
Quantitative Structure-activity Relationships of Drugs
-
-
Blankley, C.J.1
-
5
-
-
0011945866
-
Model-directed learning of production rules
-
D.A. Waterman and F. Hayes-Roth, eds., Academic Press, New York
-
B.G. Buchanan and T.M. Mitchell, Model-directed learning of production rules, in: D.A. Waterman and F. Hayes-Roth, eds., Pattern-Directed Inference Systems (Academic Press, New York, 1978) 297-312.
-
(1978)
Pattern-directed Inference Systems
, pp. 297-312
-
-
Buchanan, B.G.1
Mitchell, T.M.2
-
6
-
-
0043162336
-
An internal coordinate Monte Carlo method for searching conformational space
-
W.C. Chang, W.C. Guida and J. Still, An internal coordinate Monte Carlo method for searching conformational space, J. Am. Chem. Soc. 111 (1989) 4379-4386.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4379-4386
-
-
Chang, W.C.1
Guida, W.C.2
Still, J.3
-
7
-
-
0021107965
-
Solvent-accessible surfaces of proteins and nucleic acids
-
M.L. Connolly, Solvent-accessible surfaces of proteins and nucleic acids, Science 221 (1983) 709-713.
-
(1983)
Science
, vol.221
, pp. 709-713
-
-
Connolly, M.L.1
-
8
-
-
0023751431
-
Comparative molecular field analysis (CoMFA), 1: Effect of shape on binding of steroids to carrier proteins
-
R.D. Cramer III, D.E. Patterson and J.D. Bunce, Comparative molecular field analysis (CoMFA), 1: Effect of shape on binding of steroids to carrier proteins, J. Am. Chem. Soc. 110 (1988) 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer R.D. III1
Patterson, D.E.2
Bunce, J.D.3
-
10
-
-
84914723638
-
An inductive approach to solving the imperfect theory problem
-
Department of Computer Science, Oregon State University, Corvallis, OR
-
T.G. Dietterich and N.S. Flann, An inductive approach to solving the imperfect theory problem, Tech. Rept. No. 88-30-2, Department of Computer Science, Oregon State University, Corvallis, OR (1988).
-
(1988)
Tech. Rept. No. 88-30-2
-
-
Dietterich, T.G.1
Flann, N.S.2
-
11
-
-
0042545830
-
A comparison of dynamic reposing and tangent distance for drug activity prediction
-
Morgan Kaufman, San Mateo, CA
-
T.G. Dietterich, A.N. Jain, R. Lathrop and T. Lozano-Pérez, A comparison of dynamic reposing and tangent distance for drug activity prediction, in: Advances in Neural Information Processing Systems 6 (Morgan Kaufman, San Mateo, CA, 1994) 216-223.
-
(1994)
Advances in Neural Information Processing Systems
, vol.6
, pp. 216-223
-
-
Dietterich, T.G.1
Jain, A.N.2
Lathrop, R.3
Lozano-Pérez, T.4
-
12
-
-
0004761280
-
Inductive learning of structural descriptions: Evaluation criteria and comparative review of selected methods
-
T.G. Dietterich and R.S. Michalski, Inductive learning of structural descriptions: evaluation criteria and comparative review of selected methods, Artif. Intell. 16 (1981) 257-294.
-
(1981)
Artif. Intell.
, vol.16
, pp. 257-294
-
-
Dietterich, T.G.1
Michalski, R.S.2
-
13
-
-
0027252551
-
Artificially generated data sets for testing DNA sequence assembly algorithms
-
M.L. Engle and C. Burks, Artificially generated data sets for testing DNA sequence assembly algorithms, Genomics 16 (1993) 286-288.
-
(1993)
Genomics
, vol.16
, pp. 286-288
-
-
Engle, M.L.1
Burks, C.2
-
14
-
-
0000909504
-
New aromatic musk odorants: Design and synthesis
-
C. Fehr, J. Galindo, R. Haubrichs and R. Perret, New aromatic musk odorants: design and synthesis, Helv. Chim. Acta 72 (1989) 1537-1553.
-
(1989)
Helv. Chim. Acta
, vol.72
, pp. 1537-1553
-
-
Fehr, C.1
Galindo, J.2
Haubrichs, R.3
Perret, R.4
-
16
-
-
0027518573
-
Structure-activity relationships from molecular similarity matrices
-
A.C. Good, S.-S. So and W.G. Richards, Structure-activity relationships from molecular similarity matrices, J. Med. Chem. 36 (1993) 433-438.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 433-438
-
-
Good, A.C.1
So, S.-S.2
Richards, W.G.3
-
17
-
-
0022353933
-
Structure-activity studies of musk odorants using pattern recognition: Monocyclic nitrobenzenes
-
C.L. Ham and P.C. Jurs, Structure-activity studies of musk odorants using pattern recognition: monocyclic nitrobenzenes, Chem. Senses 10 (1985) 491-505.
-
(1985)
Chem. Senses
, vol.10
, pp. 491-505
-
-
Ham, C.L.1
Jurs, P.C.2
-
18
-
-
0040914011
-
ρ-σ-π analysis. A method for the correlation of biological activity and chemical structure
-
C. Hansch and T. Fujita, ρ-σ-π analysis. A method for the correlation of biological activity and chemical structure, J. Am. Chem. Soc. 86 (1964) 1616-1626.
-
(1964)
J. Am. Chem. Soc.
, vol.86
, pp. 1616-1626
-
-
Hansch, C.1
Fujita, T.2
-
20
-
-
0024082469
-
Quantifying inductive bias: AI learning algorithms and Valiant's learning framework
-
D. Haussler, Quantifying inductive bias: AI learning algorithms and Valiant's learning framework, Artif. Intell. 36 (1988) 177-222.
-
(1988)
Artif. Intell.
, vol.36
, pp. 177-222
-
-
Haussler, D.1
-
21
-
-
2542455833
-
Learning conjunctive concepts in structural domains
-
D. Haussler, Learning conjunctive concepts in structural domains, Mach. Learn. 4 (1989) 7-40.
-
(1989)
Mach. Learn.
, vol.4
, pp. 7-40
-
-
Haussler, D.1
-
22
-
-
0028706933
-
Compass: A shape-based machine learning tool for drug design
-
A.N. Jain, T.G. Dietterich, R.H. Lathrop, D. Chapman, R.E. Critchlow, B.E. Bauer, TA. Webster and T. Lozano-Pérez, Compass: a shape-based machine learning tool for drug design, J. Comput. Aided Molecular Design 8 (1994) 635-652.
-
(1994)
J. Comput. Aided Molecular Design
, vol.8
, pp. 635-652
-
-
Jain, A.N.1
Dietterich, T.G.2
Lathrop, R.H.3
Chapman, D.4
Critchlow, R.E.5
Bauer, B.E.6
Webster, T.A.7
Lozano-Pérez, T.8
-
23
-
-
0028940949
-
Quantitative binding site model generation: Compass applied to multiple chemotypes targeting the 5HT1A receptor
-
A.N. Jain, N.L. Harris and J.Y. Park, Quantitative binding site model generation: Compass applied to multiple chemotypes targeting the 5HT1A receptor, J. Med. Chem. 38 (1995) 1295-1307.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1295-1307
-
-
Jain, A.N.1
Harris, N.L.2
Park, J.Y.3
-
24
-
-
0027930292
-
Compass: Predicting biological activities from molecular surface properties. Performance comparisons on a steroid benchmark
-
A.N. Jain, K. Koile, B. Bauer and D. Chapman, Compass: predicting biological activities from molecular surface properties. Performance comparisons on a steroid benchmark, J. Med. Chem. 37 (1994) 2315-2327.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2315-2327
-
-
Jain, A.N.1
Koile, K.2
Bauer, B.3
Chapman, D.4
-
25
-
-
0023802237
-
A molecular shape analysis and quantitative structure-activity relationship investigation of some triazine-antifolate inhibitors of Leishmania dihydrofolate reductase
-
M.G. Koehler, K. Rowberg-Schaefer and A.J. Hopfinger, A molecular shape analysis and quantitative structure-activity relationship investigation of some triazine-antifolate inhibitors of Leishmania dihydrofolate reductase, Archives Biochem. Biophys. 266 (1988) 152-161.
-
(1988)
Archives Biochem. Biophys.
, vol.266
, pp. 152-161
-
-
Koehler, M.G.1
Rowberg-Schaefer, K.2
Hopfinger, A.J.3
-
26
-
-
0026730489
-
Structure-based strategies for drug design and discovery
-
I.D. Kuntz, Structure-based strategies for drug design and discovery, Science 257 (1992) 1078-1082.
-
(1992)
Science
, vol.257
, pp. 1078-1082
-
-
Kuntz, I.D.1
-
27
-
-
0003659236
-
-
McGraw-Hill, New York
-
R. Lindsay, B. Buchanan, E. Feigenbaum and J. Lederberg, Applications of Artificial Intelligence to Organic Chemistry: The Dendral Project (McGraw-Hill, New York, 1980).
-
(1980)
Applications of Artificial Intelligence to Organic Chemistry: The Dendral Project
-
-
Lindsay, R.1
Buchanan, B.2
Feigenbaum, E.3
Lederberg, J.4
-
28
-
-
0003408496
-
-
Department of Information and Computer Science, University of California, Irvine, CA
-
P.M. Murphy and D.W. Aha, UCI repository of machine learning databases [Machine-readable data repository], Department of Information and Computer Science, University of California, Irvine, CA (1994).
-
(1994)
UCI Repository of Machine Learning Databases [Machine-readable Data Repository]
-
-
Murphy, P.M.1
Aha, D.W.2
-
29
-
-
0022650016
-
Structure-activity studies of musk odorants using pattern recognition: Bicyclo-and tricyclo-benzenoids
-
J.N. Narvaez, B.K. Lavine and P.C. Jurs, Structure-activity studies of musk odorants using pattern recognition: bicyclo-and tricyclo-benzenoids, Chem. Senses 11 (1986) 145-156.
-
(1986)
Chem. Senses
, vol.11
, pp. 145-156
-
-
Narvaez, J.N.1
Lavine, B.K.2
Jurs, P.C.3
-
31
-
-
0003137923
-
Efficient pattern recognition using a new transformation distance
-
S.J. Hanson, J.D. Cowan and C.L. Giles, eds., Morgan Kaufmann, San Mateo, CA
-
P. Simard, Y. Le Cun and J. Denker, Efficient pattern recognition using a new transformation distance, in: S.J. Hanson, J.D. Cowan and C.L. Giles, eds., Advances in Neural Information Processing Systems 5 (Morgan Kaufmann, San Mateo, CA, 1993) 50-58.
-
(1993)
Advances in Neural Information Processing Systems
, vol.5
, pp. 50-58
-
-
Simard, P.1
Le Cun, Y.2
Denker, J.3
-
32
-
-
0028362302
-
GRAM and genfragll: Simulating and solving the single-digest partial restriction map problem
-
C. Soderlund and C. Burks, GRAM and genfragll: simulating and solving the single-digest partial restriction map problem, Comput. Appl. Biosci. 10 (1994) 349-358.
-
(1994)
Comput. Appl. Biosci.
, vol.10
, pp. 349-358
-
-
Soderlund, C.1
Burks, C.2
-
33
-
-
0024154259
-
Multivariate data analysis and experimental design in biomedical research
-
G.P. Ellis and G.B. West, eds., Elsevier Science Publishers, Amsterdam
-
L. Ståhle and S. Wold, Multivariate data analysis and experimental design in biomedical research, in: G.P. Ellis and G.B. West, eds., Progress in Medicinal Chemistry 25 (Elsevier Science Publishers, Amsterdam, 1988) 291-323.
-
(1988)
Progress in Medicinal Chemistry
, vol.25
, pp. 291-323
-
-
Ståhle, L.1
Wold, S.2
-
34
-
-
0042545831
-
-
distributed by Columbia University, New York
-
W.C. Still, Macromodel program (distributed by Columbia University, New York).
-
Macromodel Program
-
-
Still, W.C.1
-
35
-
-
0001932545
-
Olfaction, musk odor, and molecular properties
-
E.T. Theimer and J.T. Davies, Olfaction, musk odor, and molecular properties, J. Agr. Food Chem. 15 (1967) 6-14.
-
(1967)
J. Agr. Food Chem.
, vol.15
, pp. 6-14
-
-
Theimer, E.T.1
Davies, J.T.2
-
36
-
-
0027413349
-
Pseudo-receptor modeling: A new concept for the three-dimensional construction of receptor binding sites
-
A. Vedani, P. Zbinden and J.P. Snyder, Pseudo-receptor modeling: a new concept for the three-dimensional construction of receptor binding sites, J. Receptor Res. 13 (1993) 163-177.
-
(1993)
J. Receptor Res.
, vol.13
, pp. 163-177
-
-
Vedani, A.1
Zbinden, P.2
Snyder, J.P.3
-
37
-
-
0021757436
-
A new force field for molecular mechanical simulation of nucleic acids and proteins
-
S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta Jr and P. Weiner, A new force field for molecular mechanical simulation of nucleic acids and proteins, J. Am. Chem. Soc. 106 (1984) 765-784.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765-784
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta S., Jr.7
Weiner, P.8
-
38
-
-
84988053694
-
An all atom force field for simulations of proteins and nucleic acids
-
S.J. Weiner, P.A. Kollman, D.J. Nguyen and D.A. Case, An all atom force field for simulations of proteins and nucleic acids, J. Comput. Chem. 7 (1986) 230-252.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.J.3
Case, D.A.4
|