john delaney
TitoloCitata daAnno
ESOL: estimating aqueous solubility directly from molecular structure
JS Delaney
Journal of chemical information and computer sciences 44 (3), 1000-1005, 2004
1872004
Predicting aqueous solubility from structure
JS Delaney
Drug discovery today 10 (4), 289-295, 2005
1862005
Finding and filling protein cavities using cellular logic operations
JS Delaney
Journal of molecular graphics 10 (3), 174-177, 1992
611992
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
592006
Physical and molecular properties of agrochemicals: an analysis of screen inputs, hits, leads, and products
ED Clarke, JS Delaney
Chimia International Journal for Chemistry 57 (11), 731-734, 2003
592003
Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds
JS Delaney
Molecular diversity 1 (4), 217-222, 1996
501996
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
492006
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
142005
Modelling iterative compound optimisation using a self-avoiding walk
J Delaney
Drug discovery today 14 (3-4), 198-207, 2009
72009
Prediction of Abraham Descriptors for Agrochemicals
P Japertasa, A Sazonovasa, ED Clarkec, JS Delaneyc
Proceedings of the PhysChem Forum 4, 2007
42007
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
31993
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
Linear scaling mapping of chemical space
JS 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
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–16