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john delaney
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Year
ESOL: estimating aqueous solubility directly from molecular structure
JS Delaney
Journal of chemical information and computer sciences 44 (3), 1000-1005, 2004
8742004
Predicting aqueous solubility from structure
JS Delaney
Drug discovery today 10 (4), 289-295, 2005
2432005
Physical and molecular properties of agrochemicals: an analysis of screen inputs, hits, leads, and products
ED Clarke, JS Delaney
Chimia 57 (11), 731-731, 2003
1022003
Modern agrochemical research: a missed opportunity for drug discovery?
J Delaney, E Clarke, D Hughes, M Rice
Drug Discovery Today 11 (17-18), 839-845, 2006
912006
Finding and filling protein cavities using cellular logic operations
JS Delaney
Journal of Molecular Graphics 10 (3), 174-177, 1992
691992
Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds
JS Delaney
Molecular diversity 1, 217-222, 1996
611996
Virtual screening using binary kernel discrimination: analysis of pesticide data
DJ Wilton, RF Harrison, P Willett, J Delaney, K Lawson, G Mullier
Journal of chemical information and modeling 46 (2), 471-477, 2006
592006
Targeting chemical inputs and optimising HTS for agrochemical discovery
SC Smith, JS Delaney, MP Robinson, MJ Rice
Combinatorial Chemistry & High Throughput Screening 8 (7), 577-587, 2005
152005
Modelling iterative compound optimisation using a self-avoiding walk
J Delaney
Drug discovery today 14 (3-4), 198-207, 2009
132009
Rapid construction of data tables for quantitative structure-activity relationship studies
JS Delaney, A Mullaley, GW Mullier, GJ Sexton, R Taylor, RC Viner
Journal of chemical information and computer sciences 33 (1), 174-178, 1993
41993
Prediction of abraham descriptors for agrochemicals
P Japertas, A Sazonovas, ED Clarke, JS Delaney
PhysChem Forum 4, 2, 2007
32007
Adverse outcome pathway (AOP) -informed tiered testing to predict developmental or reproductive toxicity (DART) risks during new active substance R&D
R Currie, J Delany, N Kidley, K Papachristos, K Wolton, D Cowie, ...
Toxicology Letters 295, S47, 2018
2018
Identifying the “DARTable genome” and understanding trigger conditions for Quantitative Adverse Outcome Pathways are necessary for predictive DART
RA Currie, D Cowie, J Delaney, A Kende, N Kidley, S Modi, P Rawlinson, ...
Reproductive Toxicology 72, 19, 2017
2017
Linear scaling mapping of chemical space
J Delaney
239th ACS National Meeting, San Francisco, CA, United States, CINF-73, 2010
2010
AGRO 63-Abraham descriptors relating to agrochemical transport processes
ED Clarke, J Delaney, PJ Jurgutis, P Japertas
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007
2007
AGRO 64-Agrochemicals and log P octanol: Evaluation of structure based predictions
ED Clarke, J Delaney, P Japertas, PJ Jurgutis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007
2007
Knowledge based screening
J Delaney
229th ACS National Meeting, San Diego, CA, United States, COMP-103, 2005
2005
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