| The pKa Distribution of Drugs: Application to Drug Discovery DT Manallack Perspectives in medicinal chemistry 1, 1177391X0700100003, 2007 | 464 | 2007 |
| The significance of acid/base properties in drug discovery DT Manallack, RJ Prankerd, E Yuriev, TI Oprea, DK Chalmers Chemical Society Reviews 42 (2), 485-496, 2013 | 313 | 2013 |
| Data modelling with neural networks: advantages and limitations DJ Livingstone, DT Manallack, IV Tetko Journal of computer-aided molecular design 11, 135-142, 1997 | 227 | 1997 |
| Neural networks in drug discovery: have they lived up to their promise? DT Manallack, DJ Livingstone European Journal of Medicinal Chemistry 34 (3), 195-208, 1999 | 180 | 1999 |
| Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids. BG Tehan, EJ Lloyd, MG Wong, WR Pitt, JG Montana, DT Manallack, ... Quantitative Structure‐Activity Relationships 21 (5), 457-472, 2002 | 152 | 2002 |
| The next generation of phosphodiesterase inhibitors: structural clues to ligand and substrate selectivity of phosphodiesterases DT Manallack, RA Hughes, PE Thompson Journal of medicinal chemistry 48 (10), 3449-3462, 2005 | 151 | 2005 |
| Statistics using neural networks: chance effects DJ Livingstone, DT Manallack Journal of medicinal chemistry 36 (9), 1295-1297, 1993 | 131 | 1993 |
| Analysis of linear and nonlinear QSAR data using neural networks DT Manallack, DD Ellis, DJ Livingstone Journal of Medicinal Chemistry 37 (22), 3758-3767, 1994 | 105 | 1994 |
| Regulation of σ‐receptors: high‐and low‐affinity agonist states, GTP shifts, and up‐regulation by rimcazole and 1, 3‐di (2‐tolyl) guanidine PM Beart, RD O'Shea, DT Manallack Journal of neurochemistry 53 (3), 779-788, 1989 | 104 | 1989 |
| Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 2: Application to Amines, Anilines and Various Nitrogen Containing Heterocyclic Compounds. BG Tehan, EJ Lloyd, MG Wong, WR Pitt, E Gancia, DT Manallack Quantitative Structure‐Activity Relationships 21 (5), 473-485, 2002 | 102 | 2002 |
| Scaffold hopping in de novo design. Ligand generation in the absence of receptor information DG Lloyd, CL Buenemann, NP Todorov, DT Manallack, PM Dean Journal of medicinal chemistry 47 (3), 493-496, 2004 | 100 | 2004 |
| Psychotomimetic σ-opiates and PCP DT Manallack, PM Beart, AL Gundlach Trends in Pharmacological Sciences 7, 448-451, 1986 | 95 | 1986 |
| Identification of potent phosphodiesterase inhibitors that demonstrate cyclic nucleotide-dependent functions in apicomplexan parasites BL Howard, KL Harvey, RJ Stewart, MF Azevedo, BS Crabb, IG Jennings, ... ACS chemical biology 10 (4), 1145-1154, 2015 | 93 | 2015 |
| A consensus neural network-based technique for discriminating soluble and poorly soluble compounds DT Manallack, BG Tehan, E Gancia, BD Hudson, MG Ford, ... Journal of chemical information and computer sciences 43 (2), 674-679, 2003 | 85 | 2003 |
| The acid–base profile of a contemporary set of drugs: implications for drug discovery DT Manallack SAR and QSAR in Environmental Research 20 (7-8), 611-655, 2009 | 82 | 2009 |
| Receptor site topographies for phencyclidine-like and sigma drugs: predictions from quantitative conformational, electrostatic potential, and radioreceptor analyses. DT Manallack, MG Wong, M Costa, PR Andrews, PM Beart Molecular pharmacology 34 (6), 863-879, 1988 | 80 | 1988 |
| Absence of N-Methyl-D-Aspartate Receptors on Ovine Cerebral Microvessels PM Beart, KAM Sheehan, DT Manallack Journal of Cerebral Blood Flow & Metabolism 8 (6), 879-882, 1988 | 78 | 1988 |
| Theoretical hydrogen bonding parameters for drug design E Gancia, JG Montana, DT Manallack Journal of Molecular Graphics and Modelling 19 (3-4), 349-362, 2001 | 77 | 2001 |
| Selecting screening candidates for kinase and G protein-coupled receptor targets using neural networks DT Manallack, WR Pitt, E Gancia, JG Montana, DJ Livingstone, MG Ford, ... Journal of chemical information and computer sciences 42 (5), 1256-1262, 2002 | 74 | 2002 |
| Prediction of drug solubility from molecular structure using a drug-like training set J Huuskonen, DJ Livingstone, DT Manallack SAR and QSAR in Environmental Research 19 (3-4), 191-212, 2008 | 60 | 2008 |
