References
- Brennan , MB . 2000 . Chem. Eng. News , 78 ( 23 ) : 63
- Kennedy , TM . 1997 . Drug Disc. Today , 2 : 436
- Waterbeemd , HVD and Gifford , E . 2003 . Nature Rev. Drug Disc. , 2 : 192
- Yvonne , MC . 2003 . Evaluation of commercial ADME prediction programs with Abbott data . paper presented at the 36th Mid-Atlantic Regional Meeting . June 2003 , Princeton, NJ, USA.
- Stouch , TR . 2003 . The unfortunate truth behind in silico ADME modeling . paper presented at the Predictive ADME . November 2003 , Boston, MA, USA. Improve Lead Selection Through Innovative Thinking ,
- Stouten , PF . 2003 . Pitfalls of biopharmaceutical property predictions: stretching data and models too far . paper presented at the Predictive ADME . November 2003 , Boston, MA, USA. Improve Lead Selection Through Innovative Thinking ,
- Mattioni , BE , Kauffman , GW , Jurs , PC , Custer , LL , Durham , SK and Pearl , GM . 2003 . J. Chem. Inf. Comput. Sci. , 43 : 949
- Baurin , N , Mozziconnacci , J-C , Arnoult , E , Chavatte , P , Marot , C and Morin-Allory , L . 2004 . J. Chem. Inf. Comput. Sci. , 44 : 276
- Votano , JR , Parham , M , Hall , LH , Kier , LB , Oloff , S , Tropsha , A , Xie , Q and Tong , W . 2004 . Mutagenesis , 19 : 365
- PALLAS™ . Version 3.0, CompuDrug International Inc., , Budapest, Hungary
- Banik , GM . 2003 . ADME/Tox consensus predictions . paper presented at the Accelerating Drug Discovery to Development via Cutting Edge ADMET . September 2003 , Boston, MA, USA.
- Banik , GM . 2004 . Cur. Drug Disc. , May : 31
- Dearden , JC , Netzava , TI and Bibby , R . 2002 . J. Pharm. Pharmacol. , 54 : s-2
- Votano , JR , Parham , M , Hall , LH and Kier , LB . 2004 . Molec. Diver. , 8 : 379
- Mallela , R , Hitchings , H , Guyon , I and Miller , J . 2004 . A comparison of optimized methods on HTS and ADME Datasets . paper presented at Sheffield Cheminformatics Conference . April 2004 , Sheffield, UK.
- Mallela , R , Hitchings , H , Guyon , I and Miller , J . 2003 . Predictive modeling trends and techniques . paper presented at CHI Predictive ADME/Tox Conference . November 2003 , Boston, MA, USA.
- Meylan , WM , Howard , PH and Boethling , RS . 1996 . Environ. Toxicol. Chem. , 15 : 100
- Subramanian , K . 2005 . Strand genomics on learning from the past – building models to predict ADME and toxicity . paper presented at the Evaluating Preclinical Drug Safety Conference . June 2005 , Boston, MA, USA.
- Subramanian , K . 2004 . Strand genomics on predicting pharmacokinetics of a drug using machine learning . paper presented at the Predictive ADME Conference . November 2004 , Boston, MA, USA.
- Votano , JR , Parham , M , Hall , LH , Kier , LB , Oloff , S and Tropsha , A . 2005 . QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation . J. Med. Chem. , paper submitted to:
- Press , WH , Teukolsky , SA , Vetterling , WT and Flannery , BP . 1992 . Numerical Receipes in C: The Art of Scientific Computing. Chapter 15. Modeling of Data , 2nd , 656 New York, , USA : Cambridge University Press .
- Bengio , Y and Grandvalet , Y . Estimators of variance of K-fold cross-validation . Available online at:http://www.iro.umontreal.ca/~kegl/CRMWorkshop/slidesGrandvalet.pdf(accessed 15 February 2006)