Guest Editor: Daniel R. McMasters
649-650
Guest editorial for special issue on “ADME and Physical Properties”
Daniel R. McMasters
651-664
Estimating the domain of applicability for machine learning QSAR models: a study on aqueous solubility of drug discovery molecules
Timon Sebastian Schroeter, Anton Schwaighofer, Sebastian Mika, Antonius Ter Laak and Detlev Suelzle, et al.
665-673
Development of in silico models for human liver microsomal stability
Pil H. Lee, Lourdes Cucurull-Sanchez, Jing Lu and Yuhua J. Du
675-679
An atomistic model of passive membrane permeability: application to a series of FDA approved drugs
Chakrapani Kalyanaraman and Matthew P. Jacobson
681-691
Epik: a software program for pK
a
prediction and protonation state generation for drug-like molecules
John C. Shelley, Anuradha Cholleti, Leah L. Frye, Jeremy R. Greenwood and Mathew R. Timlin, et al.
693-708
Calculating physical properties of organic compounds for environmental modeling from molecular structure
S. H. Hilal, A. N. Saravanaraj, T. Whiteside and L. A. Carreira