Comparative QSAR studies on PAMPA/modified PAMPA for high throughput profiling of drug absorption potential with respect to Caco-2 cells and human intestinal absorption Rajeshwar P. VermaCorwin HanschCynthia D. Selassie Original Paper 26 January 2007 Pages: 3 - 22
Pushing the boundaries of 3D-QSAR Richard D. CramerBernd Wendt Original Paper 26 January 2007 Pages: 23 - 32
Modeling chemical reactions for drug design Johann Gasteiger Original Paper 25 January 2007 Pages: 33 - 52
Evaluation of machine-learning methods for ligand-based virtual screening Beining ChenRobert F. HarrisonNikolaus Stiefl Original Paper 05 January 2007 Pages: 53 - 62
Outliers in SAR and QSAR: Is unusual binding mode a possible source of outliers? Ki Hwan Kim Special Issue: Yvonne Martin Retirement 03 March 2007 Pages: 63 - 86
kScore: a novel machine learning approach that is not dependent on the data structure of the training set Scott OloffIngo Muegge Original Paper 28 February 2007 Pages: 87 - 95
Antitumor Agents 252. Application of validated QSAR models to database mining: discovery of novel tylophorine derivatives as potential anticancer agents Shuxing ZhangLinyi WeiAlexander Tropsha Original Paper 06 March 2007 Pages: 97 - 112
Lead-like, drug-like or “Pub-like”: how different are they? Tudor I. OpreaTharun Kumar AlluCristian G. Bologa Original Paper 28 February 2007 Pages: 113 - 119
Design and characterization of an engineered gp41 protein from human immunodeficiency virus-1 as a tool for drug discovery Kent D. StewartKevin SteffyAkhter Molla Original Paper 09 February 2007 Pages: 121 - 130
Improved estimation of ligand–macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods Akash KhandelwalStefan Balaz Original Paper 28 February 2007 Pages: 131 - 137
Enhancement of chemical rules for predicting compound reactivity towards protein thiol groups James T. MetzJeffrey R. HuthPhilip J. Hajduk Original Paper 06 March 2007 Pages: 139 - 144
