An extended version of a novel method for the estimation of partition coefficients N Bodor, MJ Huang Journal of pharmaceutical sciences 81 (3), 272-281, 1992 | 151 | 1992 |
Neural network studies. 1. Estimation of the aqueous solubility of organic compounds N Bodor, A Harget, MJ Huang Journal of the American Chemical Society 113 (25), 9480-9483, 1991 | 146 | 1991 |
A new method for the estimation of the aqueous solubility of organic compounds N Bodor, MJ Huang Journal of pharmaceutical sciences 81 (9), 954-960, 1992 | 121 | 1992 |
Using experimental data of Escherichia coli to develop a QSAR model for predicting the photo-induced cytotoxicity of metal oxide nanoparticles K Pathakoti, MJ Huang, JD Watts, X He, HM Hwang Journal of Photochemistry and Photobiology B: Biology 130, 234-240, 2014 | 113 | 2014 |
Preliminary observations on a new water–water potential U Niesar, G Corongiu, MJ Huang, M Dupuis, E Clementi International Journal of Quantum Chemistry 36 (S23), 421-443, 1989 | 98 | 1989 |
Assessment of the performance of density‐functional methods for calculations on iron porphyrins and related compounds MS Liao, JD Watts, MJ Huang Journal of computational chemistry 27 (13), 1577-1592, 2006 | 94 | 2006 |
DFT study of unligated and ligated manganeseii porphyrins and phthalocyanines MS Liao, JD Watts, MJ Huang Inorganic chemistry 44 (6), 1941-1949, 2005 | 94 | 2005 |
Toxicity assessment of atrazine and related triazine compounds in the microtox assay, and computational modeling for their structure-activity relationship PB Tchounwoul, B Wilson, A Ishaque, R Ransome, MJ Huang, ... International Journal of Molecular Sciences 1 (4), 63-74, 2000 | 80 | 2000 |
Theoretical Comparative Study of Oxygen Adsorption on Neutral and Anionic Agn and Aun Clusters (n = 2–25) MS Liao, JD Watts, MJ Huang The Journal of Physical Chemistry C 118 (38), 21911-21927, 2014 | 73 | 2014 |
Theoretical studies of inclusion complexes of α‐and β‐cyclodextrin with benzoic acid and phenol MJ Huang, JD Watts, N Bodor International Journal of Quantum Chemistry 65 (6), 1135-1152, 1997 | 73 | 1997 |
Structure, bonding, and linear optical properties of a series of silver and gold nanorod clusters: DFT/TDDFT studies MS Liao, P Bonifassi, J Leszczynski, PC Ray, MJ Huang, JD Watts The Journal of Physical Chemistry A 114 (48), 12701-12708, 2010 | 66 | 2010 |
Iron porphyrins with different imidazole ligands. A theoretical comparative study MS Liao, MJ Huang, JD Watts The Journal of Physical Chemistry A 114 (35), 9554-9569, 2010 | 64 | 2010 |
Effects of peripheral substituents on the electronic structure and properties of unligated and ligated metal phthalocyanines, metal= Fe, Co, Zn MS Liao, JD Watts, MJ Huang, SM Gorun, T Kar, S Scheiner Journal of Chemical Theory and Computation 1 (6), 1201-1210, 2005 | 63 | 2005 |
Metal oxide nanomaterials in nanomedicine: applications in photodynamic therapy and potential toxicity X He, W G Aker, MJ Huang, J D Watts, HM Hwang Current Topics in Medicinal Chemistry 15 (18), 1887-1900, 2015 | 61 | 2015 |
Theoretical studies of inclusion complexes of β‐cyclodextrin with methylated benzoic acids MJ Huang, JD Watts, N Bodor International journal of quantum chemistry 64 (6), 711-719, 1997 | 60 | 1997 |
Tunneling in the automerization of cyclobutadiene MJ Huang, M Wolfsberg Journal of the American Chemical Society 106 (14), 4039-4040, 1984 | 57 | 1984 |
Electronic structure of some substituted iron (II) porphyrins. Are they intermediate or high spin? MS Liao, JD Watts, MJ Huang The Journal of Physical Chemistry A 111 (26), 5927-5935, 2007 | 52 | 2007 |
A tumor DNA complex aberration index is an independent predictor of survival in breast and ovarian cancer HKM Vollan, OM Rueda, SF Chin, C Curtis, G Turashvili, S Shah, ... Molecular oncology 9 (1), 115-127, 2015 | 51 | 2015 |
FeII in different macrocycles: Electronic structures and properties MS Liao, JD Watts, MJ Huang The Journal of Physical Chemistry A 109 (35), 7988-8000, 2005 | 47 | 2005 |
Theoretical studies on the structures of natural and alkylated cyclodextrins NS Bodor, MJ Huang, JD Watts Journal of pharmaceutical sciences 84 (3), 330-336, 1995 | 44 | 1995 |