Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure–activity relationship (QSAR) with the Abraham descriptors YH Zhao, J Le, MH Abraham, A Hersey, PJ Eddershaw, CN Luscombe, ... Journal of pharmaceutical sciences 90 (6), 749-784, 2001 | 631 | 2001 |
Estimation of molecular linear free energy relation descriptors using a group contribution approach JA Platts, D Butina, MH Abraham, A Hersey Journal of Chemical Information and Computer Sciences 39 (5), 835-845, 1999 | 516 | 1999 |
Hybrid density functional theory for π‐stacking interactions: Application to benzenes, pyridines, and DNA bases MP Waller, A Robertazzi, JA Platts, DE Hibbs, PA Williams Journal of computational chemistry 27 (4), 491-504, 2006 | 279 | 2006 |
Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods JG Hill, JA Platts, HJ Werner Physical Chemistry Chemical Physics 8 (35), 4072-4078, 2006 | 274 | 2006 |
Hydrogen bond structural group constants MH Abraham, JA Platts The Journal of organic chemistry 66 (10), 3484-3491, 2001 | 272 | 2001 |
Directionality of hydrogen bonds to sulfur and oxygen JA Platts, ST Howard, BRF Bracke Journal of the American Chemical Society 118 (11), 2726-2733, 1996 | 258 | 1996 |
Correlation and prediction of a large blood–brain distribution data set—an LFER study JA Platts, MH Abraham, YH Zhao, A Hersey, L Ijaz, D Butina European journal of medicinal chemistry 36 (9), 719-730, 2001 | 245 | 2001 |
Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients JA Platts, MH Abraham, D Butina, A Hersey Journal of Chemical Information and Computer Sciences 40 (1), 71-80, 2000 | 180 | 2000 |
Spin-component scaling methods for weak and stacking interactions JG Hill, JA Platts Journal of Chemical Theory and Computation 3 (1), 80-85, 2007 | 172 | 2007 |
Fluorine–fluorine interactions in the solid state: an experimental and theoretical study RJ Baker, PE Colavita, DM Murphy, JA Platts, JD Wallis The Journal of Physical Chemistry A 116 (5), 1435-1444, 2012 | 167 | 2012 |
Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions KE Riley, JA Platts, J Rezac, P Hobza, JG Hill The Journal of Physical Chemistry A 116 (16), 4159-4169, 2012 | 139 | 2012 |
Theoretical prediction of hydrogen bond donor capacity JA Platts Physical Chemistry Chemical Physics 2 (5), 973-980, 2000 | 131 | 2000 |
First experimental characterization of a non-nuclear attractor in a dimeric magnesium (I) compound JA Platts, J Overgaard, C Jones, BB Iversen, A Stasch The Journal of Physical Chemistry A 115 (2), 194-200, 2011 | 126 | 2011 |
Correlation and estimation of gas–chloroform and water–chloroform partition coefficients by a linear free energy relationship method MH Abraham, JA Platts, A Hersey, AJ Leo, RW Taft Journal of pharmaceutical sciences 88 (7), 670-679, 1999 | 119 | 1999 |
The RP-HPLC measurement and QSPR analysis of log Po/w values of several Pt (II) complexes JA Platts, SP Oldfield, MM Reif, A Palmucci, E Gabano, D Osella Journal of Inorganic Biochemistry 100 (7), 1199-1207, 2006 | 112 | 2006 |
Calculation of lipophilicity of a large, diverse dataset of anticancer platinum complexes and the relation to cellular uptake SP Oldfield, MD Hall, JA Platts Journal of medicinal chemistry 50 (21), 5227-5237, 2007 | 111 | 2007 |
Theoretical prediction of hydrogen bond basicity JA Platts Physical Chemistry Chemical Physics 2 (14), 3115-3120, 2000 | 105 | 2000 |
The blood-brain barrier and drug delivery to the CNS DJ Begley, MWB Bradbury, J Kreuter Marcel Dekker Ltd (Taylor & Francis Ltd), 2000 | 100 | 2000 |
Calculation of the hydrophobicity of platinum drugs JA Platts, DE Hibbs, TW Hambley, MD Hall Journal of Medicinal Chemistry 44 (3), 472-474, 2001 | 97 | 2001 |
Ab initio studies of proton sponges: 1, 8-bis (dimethylamino) naphthalene JA Platts, ST Howard, K Wozniak The Journal of Organic Chemistry 59 (16), 4647-4651, 1994 | 97 | 1994 |