Miscellaneous

ADMET Property Prediction: The State of the Art and Current Challenges

Joelle Gola, Olga Obrezanova, Ed Champness, and Matthew Segall

QSAR Comb. Sci., 25(12), 1172-1180, 2006. Get Paper

Chemoinformatics: Past, Present, and Future

William Lingran Chen

J. Chem. Inf. Model., 46 (6), 2230 -2255, 2006. Get Paper

Basic Overview of Chemoinformatics

Thomas Engel

J. Chem. Inf. Model., 46 (6), 2267 -2277, 2006.Get Paper

What Works and What Does Not: Lessons From Experience in a Pharmaceutical Company

Yvonne Connolly Martin

QSAR Comb. Sci., 25(12), 1192-1200, 2006.Get Paper

Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions

Rajarshi Guha, Debojyoti Dutta, Peter C. Jurs, and Ting Chen

J. Chem. Inf. Model., 46 (4), 1836 -1847, 2006. Get Paper

A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models

Shuxing Zhang, Alexander Golbraikh, Scott Oloff, Harold Kohn, and Alexander Tropsha

J. Chem. Inf. Model., 46 (5), 1984 -1995, 2006 Get Paper

Robust methods for multivariate data analysis

S. Frosch Møller , J. von Frese, and R. Bro

J. Chemom., 19 (10), 549-563, 2006. Get Paper

A General Method for Exploiting QSAR Models in Lead Optimization

Richard A. Lewis

J. Med. Chem., 48 (5), 1638 -1648, 2005.Get Paper

Implementation of an ADME enabling selection and visualization tool for drug discovery

Chad L. Stoner, Eric Gifford, Charles Stankovic, Christopher S. Lepsy, Joanne Brodfuehrer, J. V. N. Vara Prasad, and Narayanan Surendran

J. Pharm. Sci., 93 (5), 1131-1141, 2004 Get Paper

Selection criteria for drug-like compounds

Ingo Muegge

Med. Res. Rev., 23 (3), 302-321, 2003. Get Paper

Comparative Assessment of Multiresponse Regression Methods for Predicting the Mechanisms of Toxic Action of Phenols

Shijin Ren and Hyunjoong Kim

J. Chem. Inf. Comput. Sci., 43 (6), 2106 -2110, 2003. Get Paper

Multiobjective Optimization in Quantitative Structure-Activity Relationships: Deriving Accurate and Interpretable QSARs

Orazio Nicolotti, Valerie J. Gillet, Peter J. Fleming, and Darren V. S. Green

J. Med. Chem., 45 (23), 5069 -5080, 2002. Get Paper

Nonparametric Regression Applied to Quantitative Structure-Activity Relationships

Pere Constans and Jonathan D. Hirst

J. Chem. Inf. Comput. Sci., 40 (2), 452 -459, 2000. Get Paper

Optimization in Locally Weighted Regression

Vitezslav Centner and D. Luc Massart

Anal. Chem., 70 (19), 4206 -4211, 1998. Get Paper

QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds

Uko Maran and Sulev Slid

Artificial Intelligence Review Volume 20, Numbers 1-2/October, 2003 Pages 13-38, Get Paper