2003 |
13 | EE | David T. Manallack,
Benjamin G. Tehan,
Emanuela Gancia,
Brian D. Hudson,
Martyn G. Ford,
David J. Livingstone,
David C. Whitley,
Will R. Pitt:
A Consensus Neural Network-Based Technique for Discriminating Soluble and Poorly Soluble Compounds.
Journal of Chemical Information and Computer Sciences 43(2): 674-679 (2003) |
2002 |
12 | EE | David T. Manallack,
Will R. Pitt,
Emanuela Gancia,
John G. Montana,
David J. Livingstone,
Martyn G. Ford,
David C. Whitley:
Selecting Screening Candidates for Kinase and G Protein-Coupled Receptor Targets Using Neural Networks.
Journal of Chemical Information and Computer Sciences 42(5): 1256-1262 (2002) |
2001 |
11 | EE | David J. Livingstone,
Martyn G. Ford,
Jarmo J. Huuskonen,
David W. Salt:
Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure.
Journal of Computer-Aided Molecular Design 15(8): 741-752 (2001) |
2000 |
10 | EE | David J. Livingstone:
The Characterization of Chemical Structures Using Molecular Properties. A Survey.
Journal of Chemical Information and Computer Sciences 40(2): 195-209 (2000) |
9 | EE | Jarmo J. Huuskonen,
David J. Livingstone,
Igor V. Tetko:
Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices.
Journal of Chemical Information and Computer Sciences 40(4): 947-955 (2000) |
8 | EE | David C. Whitley,
Martyn G. Ford,
David J. Livingstone:
Unsupervised Forward Selection: A Method for Eliminating Redundant Variables.
Journal of Chemical Information and Computer Sciences 40(5): 1160-1168 (2000) |
1999 |
7 | EE | Romualdo Benigni,
Laura Passerini,
David J. Livingstone,
Mark A. Johnson,
Alessandro Giuliani:
Infrared Spectra Information and Their Correlation with QSAR Descriptors.
Journal of Chemical Information and Computer Sciences 39(3): 558-562 (1999) |
1998 |
6 | EE | Vasyl V. Kovalishyn,
Igor V. Tetko,
Alexander I. Luik,
Vladyslav V. Kholodovych,
Alessandro E. P. Villa,
David J. Livingstone:
Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture.
Journal of Chemical Information and Computer Sciences 38(4): 651-659 (1998) |
1997 |
5 | EE | David J. Livingstone,
David T. Manallack,
Igor V. Tetko:
Data modelling with neural networks: Advantages and limitations.
Journal of Computer-Aided Molecular Design 11(2): 135-142 (1997) |
1996 |
4 | EE | Igor V. Tetko,
Alessandro E. P. Villa,
David J. Livingstone:
Neural Network Studies, 2. Variable Selection.
Journal of Chemical Information and Computer Sciences 36(4): 794-803 (1996) |
1995 |
3 | | Igor V. Tetko,
David J. Livingstone,
Alexander I. Luik:
Neural network studies, 1. Comparison of overfitting and overtraining.
Journal of Chemical Information and Computer Sciences 35(5): 826-833 (1995) |
1993 |
2 | | Patrick Camilleri,
David J. Livingstone,
José A. Murphy,
David T. Manallack:
Chiral chromatography and multivariate quantitative structure-property relationships of benzimidazole sulphoxides.
Journal of Computer-Aided Molecular Design 7(1): 61-69 (1993) |
1992 |
1 | | Brian D. Hudson,
Ashley R. George,
Martyn G. Ford,
David J. Livingstone:
Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation.
Journal of Computer-Aided Molecular Design 6(2): 191-201 (1992) |