80

"Judging the Significance of Multiple Linear Regression Models", D.J. Livingstone and D.W. Salt, J. Med. Chem., 48, 661-3 2005.

79

"Neural Networks in 3D QSAR" D. J. Livingstone and D.T. Manallack, QSAR Comb. Sci., 22, 510-8 2003.

78

"Theoretical Property Predictions" D.J. Livingstone, Curr. Top. Med. Chem., 3, 1171-92 2003.

77

"A Concensus Neural Network-Based Technique for Discriminating Soluble and Insoluble Compounds" D.T. Manallack, B.G. Tehan, E. Gancia, B.D. Hudson, M.G. Ford, D.J. Livingstone, D.C. Whitley and W.R. Pitt, J. Chem. Inf. Comput. Sci., 43, 674-9 2003.

76

"Substituent effects on edge-to-face aromatic interactions", F.J. Carver, C.A. Hunter, D.J. Livingstone, J.F. McCabe and E.M. Seward, Chemistry, 8, 2848-59 2002.

75

"Selecting Screening Candidates for Kinase and G Protein Coupled Receptor Targets Using Neural Networks" D.T. Manallack, W.R. Pitt, E. Gancia, J.G. Montana, D.J. Livingstone, M.G. Ford and D.C. Whitley, J. Chem. Inf. Comput. Sci., 42, 1256-62, 2002.

74

"Modelling Mutagenicity Using Properties Calculated by Computational Chemistry", D.J. Livingstone, R. Greenwood, R. Rees and M.D. Smith, SAR QSAR Environ. Res., 13, 21-33 2002.

73

72

"Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies", I. V. Tetko, V.V. Kovalishyn, and D.J. Livingstone, J. Med. Chem., 44, 2411-2420 2001.

71

"Electronic-Topological Investigation of the Structure-Acetylcholinesterase Inhibitor Activity Relationship in the series of N-Benzylpiperidine Derivatives" A.S. Dimoglo, N.M. Shivets, I.V. Tetko and D.J. Livingstone, Quant.Struct.-Act.Relat., 13, 31-45, 2001.

70

"Application of Neural Networks Using the Volume Learning Algorithm for Quantitative Study of the Three-Dimensional Structure-Activity Relationships of Chemical Compounds" V.V. Kovalishyn, I.V. Tetko, A.I. Luik, J.R. Chretien and D.J. Livingstone, Russ. J. Bioorg. Chem., 27, 267-77 2001.

69

"Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure" D.J. Livingstone, M.G. Ford, J.J. Huuskonen and D.W Salt, J. Comp.-Aid. Mol. Design, 15, 741-52 2001.

68

"Unsupervised Forward Selection: A Method for Eliminating Redundant Variables", D. C. Whitley, M. G. Ford, and D. J. Livingstone, J. Chem. Inf. Comput. Sci., 40, 1160-1168 2000.

67

"Prediction of Aqueous Solubility for a Diverse Set of Organic Compounds Based on Atom-type Electrotopological State Indices", J.J. Huuskonen, J. Rantanen and D.J. Livingstone, J. Med. Chem., Eur. J. Med. Chem., 35, 1081-8, 2000.

66

"Lattice Model for QSAR Studies", V.E. Kuzmin, A.G. Artemenko, N.A. Kovdienko, I.V.Tetko, and D.J. Livingstone, J. Mol.Model., 6, 517-526 2000.

65

"Polynomial Neural Network for Linear and Non-linear Model Selection in Quantitative-Structure Activity Relationship Studies on WWW", I.V. Tetko, T.I. Aksenova, V.V. Volkovich, T.N. Kasheva, D.V. Filipov, A.E.P. Villa, W.J. Welsh and D.J. Livingstone, SAR QSAR Environ. Res., 11, 263-80, 2000.

64

"Synthesis and Recognition Properties of Aromatic Amide Oligomers: Molecular Zippers",A.P. Bisson, F.J. Carver, D.S. Eggleston, R.C. Haltiwanger, C.A. Hunter, D.J. Livingstone, J.F. McCabe, C. Rotger, and A.E. Rowan, J. Am. Chem. Soc., 122, 8856-8868 2000.

63

"Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-type Electrotopological State Indices", J.J. Huuskonen, D.J. Livingstone and I.V. Tetko, J. Chem. Inf. Comput. Sci., 40, 947-955 2000.

62

PERSPECTIVE "The Characterization of Chemical Structures Using Molecular Properties. A Survey" D.J. Livingstone, J. Chem. Inf. Comput. Sci., 40, 195-209 2000.

61

"Infrared Spectra Information and Their Correlation with QSAR Descriptors" R. Benigni, L. Passerini, D.J. Livingstone, M.A. Johnson and A. Giuliani, J. Chem. Inf. Comput. Sci., 39, 558-562 1999.

60

"Neural Networks in Drug Discovery; Have they Lived up to Their Promise ?" D.T. Manallack and D.J. Livingstone, Eur. J. Med. Chem., 34, 195-208 1999.

59

"Pharmaceutical Fingerprinting in Phase Space. 2. Pattern recognition" I.V. Tetko, T.I. Aksenova, A.A. Patiokha, A.E.P. Villa, W.J. Welsh, W.L. Zielinski and D.J. Livingstone, Anal. Chem., 71, 2431-2439 1999.

58

"Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture" V.V. Kovalishyn, I.V. Tetko, A.I. Luik, V.V. Kholodovych, A.E.P. Villa and D.J. Livingstone, J. Chem. Inf. Comput. Sci, 38, 651-659 1998.

57

"How Strong is a p -Facial Hydrogen-Bond ?", H. Adams, K.D.M. Harris, G.A Hembury, C.A. Hunter, D.J. Livingstone and J.F. McCabe, Chem. Commun., 2531-2 1996.

56

"Data Modelling With Neural Networks - An Answer to the Maiden’s Prayer ?" D.J. Livingstone, D.T. Manallack and I.V. Tetko, J. Comp.-Aid. Mol. Design, 11, 135-142 1996.

55

"Artificial Neural Networks as an Alternative to Statistics" D.J. Livingstone and M.G. Ford in "Bioactive Compound Design: Possibilities for Industrial Use", M.G. Ford, R. Greenwood, G.T Brooks and R. Franke Ed)s, pp 99-107, Bios Science Publishers, Oxford, 1996.

54

"Neural Network Studies. 2. Variable Selection" I.V. Tetko, A.E.P. Villa and D.J. Livingstone, J. Chem. Inf. Comput. Sci, 36, 794-803 1996.

53

"Quantitative Structure-Activity Relationships of Nicotinic Agonists" D.T. Manallack, T Gallagher and D.J. Livingstone in "Neural Networks in QSAR and Drug Design", J. Devillers Ed), pp 177-208, Academic Press, London 1996.

52

"Multivariate Data Display using Neural Networks" D.J. Livingstone in "Neural Networks in QSAR and Drug Design", J. Devillers Ed)., pp 157-176, Academic Press, London 1996.

51

"Relating Biological Activity to Chemical Structure Using Neural Networks" D.T. Manallack and D.J. Livingstone, Pestic. Sci., 45, 167-170 1995.

50

"The Trouble With Chemometrics...." D.J. Livingstone, in "QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications", F. Sanz, J. Giraldo and F. Manaut eds, pp 18-26, J.R. Prous, Barcelona, 1995.

49

"The Integrated Use of Alternative Approaches for Predicting Toxic Hazard" M.D. Barratt, J.M. Castell, M. Chamberlain, R.D. Combes, J.C. Dearden, J.H. Fentem, I. Gerner, A. Giuliani, T.J.B. Gray, D.J. Livingstone, W. McL. Provan, A.J.J.L. Rutten, H.J.M. Verhaar and P. Zbinden. ATLA, 23, 410-29 1995.

48

"Neural Network Studies. 1. Comparison of Overfitting and Overtraining" I.V. Tetko, D.J. Livingstone and A.I. Luik, J. Chem. Inf. Comput. Sci., 35, 826-833 1995.

47

"Structure-Property Correlations of a Series of Antimalarial Chloroquine Derivatives" D.T. Manallack and D.J. Livingstone, Monatshefte fur Chemie, 125, 1259-66 1994.

46

"Analysis of Linear and Non-Linear QSAR Data Using Neural Networks" D.T. Manallack, D.D. Ellis and D.J. Livingstone, J. Med. Chem., 37, 3758-67 1994.

45

"Computational Techniques for the Prediction of Toxicity" D.J. Livingstone, Toxicology In Vitro, 8, 873-877 1994.

44

"Limitations of Functional-Link Nets as Applied to QSAR Data Analysis", D.T. Manallack and D.J. Livingstone, Quant.Struct.-Act.Relat., 13, 18-21 1994

43

"Quantitative Structure-Activity Relationships of +Anatoxin-A Derivatives" D.T. Manallack, D.D. Ellis, P.E Thompson, T. Gallagher and D.J. Livingstone, Natural Product Letters, 4, 121-128 1994.

42

"Quantitative Structure-Activity Relationships: Correlation and Similarity Methods ", D.J. Livingstone, Analytical Proceedings, 31, 107-108 1994.

41

"Analysis of the Biological and Molecular Properties of Phencyclidine-like Compounds by Chemometrics" D.T. Manallack, J.W. Davies, P.M. Beart, M.R. Saunders and D.J. Livingstone, Arzneimittel Forschung, 43, 1029-1032 1993.

40

"Prediction of Biological Activity using Continuum Regression" J.A. Malpass, D.W. Salt, E.W. Wynn, M.G. Ford and D.J. Livingstone, in "Trends in QSAR and Molecular Modelling 92", C.G. Wermuth Ed)., pp 314-316, ESCOM 1993.

39

"The Use of Neural Networks for Data Analysis in QSAR: Chance Effects" D.T. Manallack and D.J. Livingstone, in "Trends in QSAR and Molecular Modelling 92", C.G. Wermuth Ed)., pp 128-131, ESCOM 1993.

38

" Statistics Using Neural Networks: Chance Effects". D.J. Livingstone and D.T. Manallack, J. Med. Chem., 36, 1295-1297 1993.

37

"Chiral Chromatography and Multivariate Quantitative Structure-Property Relationships of benzimidazole Sulphoxides". P. Camilleri, D.J. Livingstone, J.A. Murphy and D.T. Manallack, J. Comp.-Aid. Mol. Design.,7, 61-69 1993.

36

"The Use of Artificial Neural Networks in QSAR", D.W. Salt, N. Yildiz, D.J. Livingstone and C.J. Tinsley, Pestic. Sci., 36, 161-170 1992.

35

"Multivariate Quantitative Structure-Toxicity Relationships in a Series of Dopamine Mimetics", J.E. Ridings, D.T. Manallack, M.R. Saunders, J.A. Baldwin and D.J. Livingstone, Toxicology, 76, 209-217 1992.

34

"An Improved Method for the Calculation of Partition Coefficient Experimental Data for both Mixtures and Pure Compounds". S.F. Barnett, A.P. Hill, D.J. Livingstone and J. Wood, Quant.Struct.-Act.Relat., 11, 505-9 1992.

33

"Investigation of a Charge-Transfer Substituent Constant using Computer Chemistry and Pattern recognition Techniques", D.J. Livingstone, D.A Evans and M.R. Saunders, J. Chem. Soc. Perkin II, 1545-50 1992.

32

"Artificial Neural Networks: Application and Chance Effects for QSAR Data Analysis." D.T. Manallack and D.J. Livingstone Med. Chem. Res., 2, 181-90 1992.

31

"The Structure/Activity Relationships of Pyrethroid Insecticides 2. The use of Molecular Dynamics for Conformation Searching and Average Parameter Calculation". A.R. George, B.D. Hudson, M.G. Ford and D.J. Livingstone, J. Comp.-Aid. Mol. Design, 6, 191-201 1992.

30

" The Prediction of Physicochemical Properties", D.J. Livingstone, Pestic. Sci., 34, 183-4 1992.

29

"Regression Analysis for QSAR using Neural Networks". D.J. Livingstone and D.W. Salt, Bioorganic & Medicinal Chemistry Letters, 2, 213-218 1992

28

"Computers and Mathematical Modelling" D. J. Livingstone in "Animals & Alternatives in Toxicology", M. Balls, J. Bridges and J. Southee (Eds), pp 278-280, Macmillan Press 1991

27

"Applications of Cluster Analysis in Molecular Modelling and Drug Design". D.J.Livingstone, Analytical Proceedings, 28, 247-48 1991.

26

"The use of Molecular Dynamics in QSAR studies". D.J. Livingstone, B.D. Hudson, A. George and M.G. Ford, in "QSAR: Rational Approaches to the Design of Bioactive Compounds", C. Silipo and A. Vittoria (Eds), pp 557-60, Elsevier, 1991.

25

"Novel Method for the Display of Multivariate Data using Neural Networks". D.J. Livingstone, G. Hesketh and D. Clayworth, J. Mol. Graph., 9, 31-34 1991.

24

"The use of Molecular Dynamics and Time-Averaged QSAR Parameters to Investigate the Structural Basis of Pyrethroid Action". B.D. Hudson, A.R. George, D.J. Livingstone and M.G. Ford, Pestic. Sci., 31, 99-101 1991.

23

"A QSAR Approach to the Minimization of Albumin Binding". A. Hersey, R.M. Hyde, D.J. Livingstone and E. Rahr, J. Pharm. Sci, 80, 333-337 1991.

22

"Inotropic Activity of Heterocyclic Analogues of Isomazole". P. Barraclough, R.M. Beams, J.W. Black, D. Cambridge, D. Collard, D.A. Demaine, D. Firmin, V.P. Gerskowitch, R.C. Glen, H. Giles, A.P. Hill, R.A.D. Hull, R. Iyer, W.R. King, D.J. Livingstone, M.S. Nobbs, P. Randall, G. Shah, S.J. Vine and M.V Whiting, Eur. J. Med. Chem., 25, 467-477 1990.

21

"Cardiotonic 'C' Ring Modified Isomazole Analogues". P.Barraclough, J.W. Black, D. Cambridge, D.A. Demaine, V.P. Gerskowitch, H. Giles, A.P. Hill, R.A.D. Hull, R. Iyer, W.R. King, D.J. Livingstone, M.S. Nobbs, P. Randall, G.P. Shah and M.V. Whiting, Arch. Pharm., 323, 507-512 1990.

20

"Computational Chemistry and QSAR; Multivariate Techniques for Parameter Selection and Data Analysis Exemplified by a Study of Pyrethroid Neurotoxicity", M.G. Ford and D.J. Livingstone, Quant.Struct.-Act.Relat., 9, 107-114 1990.

19

"Structure-Activity Relationships of Antifilarial Antimycin Analogues, a Multivariate Pattern Recognition Study". D.L. Selwood, D.J. Livingstone, J.C.W. Comley, A.B. O'Dowd, A.T. Hudson, P. Jackson, K.S. Jandu, V.S. Rose, and J.N. Stables, J.Med.Chem., 33, 136-142 1990.

18

"Principles of Method Selection in Partition Studies". A. Hersey, A.P. Hill, R.M. Hyde and D.J. Livingstone, Quant.Struct.Act.-Relat., 8, 288-296 1989.

17

"Antifilarial Activity of a Series of Antimycin A1 Analogues, Structure Activity Relationships and Drug Design". D.L. Selwood, J.C.W. Comley, A.B. O'Dowd, A.T. Hudson, K.S. Jandu, D.J. Livingstone, M.J. Rees, and J.N. Stables, Trop.Med.Parasit., 40, 87 1989.

16

"The Structure/Activity Relationships of Pyrethroid Insecticides: 1. A Novel Approach Based upon the use of Multivariate QSAR and Computational Chemistry". M.G. Ford, R.Greenwood, C.R. Turner, B. Hudson and D.J. Livingstone, Pestic.Sci., 27, 305-326 1989.

15

"Can Pharmaceutical QSAR Methods be Applied to Pesticide Research ?". D.J. Livingstone, Pestic.Sci., 27, 287-304 1989.

14

"CORCHOP - an Interactive Routine for the Dimension Reduction of Large QSAR Data Sets". D.J. Livingstone and E. Rahr, Quant.Struct- Act.Relat., 8, 103-108 1989.

13

"Pattern Recognition Display Methods for the Analysis of Computed Molecular Properties". B. Hudson, D.J. Livingstone and E. Rahr, J.Comp.Aid.Mol.Design, 3, 55-65 1988.

12

"A Multivariate QSAR Study of Pyrethroid Neurotoxicity Based upon Molecular Parameters Derived by Computer Chemistry". D.J. Livingstone, M.G. Ford and D.S. Buckley, in "Proceedings of Neurotox '88" G.G. Lunt(Ed)., pp 483-495, Elsevier 1988.

11

"Development of Blood Storage Additives for Improved Post- Transfusion Oxygen Delivery". R.M. Hyde, D.J. Livingstone, A. Hersey, J. Dawson, E. Rahr and V.S. Rose, J.Drug.Dev., 1(2), 109- 117 1988.

10

"Perspectives in QSAR: Computer Chemistry and Pattern Recognition". R.M. Hyde and D.J. Livingstone, J.Comp.Aid.Mol.Design, 2 (2), 145-157 1988.

9

"Study on the Relationship Between the Physiochemical Characterisitics of Some Non-electrolytes and their Uptake by Brugia pahangi and Dipetalonema vitae". J.P. Court, R.C. Murgatroyd, D.J. Livingstone and E. Rahr, Molecular and Biochemical Parasitology, 27, 101-108 1988.

8

"Xanthone Additives for Blood Storage that Maintain its Potential for Oxygen Delivery". R.A. Paterson, J. Dawson, R.M. Hyde, D.J. Livingstone, E. Parry, S. Nash and I.M. Boyce, Transfusion, 28, (1), 34-37 1988.

7

"Computer Data Capture from Haemoglobin Oxygen Dissociation Curve Analysers". D.J. Livingstone, Lab. Practice, 36, 8, 66-67 1987.

6

"A Neurotoxicological Investigation of the Action of Synthetic Pyrethroid Insecticides Against Adult Houseflies Musca domestica L." S. Buckley, M.G Ford, L.D. Leake, D.W. Salt, P.E. Burt, M.D.V. Moss, C.J. Brearly and D.J. Livingstone, in "QSAR in drug design and toxicology", D. Hadzi and B. Jerman-Blazic (Eds), 336- 339, Elsevier 1987.

5

"Physicochemical Criteria for Right-Shifting the Oxygen Dissociation Curve of Whole Blood". R.M. Hyde and D.J. Livingstone, in "QSAR and strategies in the design of bioactive compounds", J.K. Seydel (Ed)., 341-344, VCH 1985.

4

"Modification of the Haemoglobin Oxygen Dissociation Curve in Whole Blood by a Compound with Dual Action". R.M. Hyde, D.J. Livingstone, R.A. Paterson, J.F. Batchelor and W.R. King, Lancet, II, 15-16 1984.

3

"Further Study of an Organic Electron-Donor-Acceptor Related Substituent Constant". D.J. Livingstone, R.M. Hyde and R. Foster, Eur.J.Med.Chem., 14, 393-397 1979.

2

"Use of Internal and External References in Nuclear Magnetic Resonance Determinations of Association Constants of Weak Molecular Complexes". J.A. Chudek, R. Foster and D.J. Livingstone, J. Chem. Soc., Faraday 1, 75, 1222-1225 1979.

1

"A Substituent Constant for Drug Design Based on the Properties of Organic Electron-Donor-Acceptor Complexes". R. Foster, R.M. Hyde and D.J. Livingstone, J.Pharm.Sci., 67, 1310-1312, 1978.