Relevant publications written by current and former members of the StarDrop team. Take a look at the community pages to see copies of the various publications and presentations we've published. At the end of this section we've also posted a few relevant publications by others.
- M. D. Segall, E. Champness, O. Obrezanova, C. Leeding. Beyond Profiling: Using ADMET models to guide decisions. Chemistry and Biodiversity, 2009 (in press) doi: 10.1002/cbdv.200900148
- Segall MD. Send for the Software Specialists. Pharmaceutical Executive Europe, August 2008
- Obrezanova O, Gola JMR, Champness E, Segall MD. Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. J Comp Aid Mol Design. 2008 Jun;22(6-7):431-440
- Segall MD. Why is it still Drug Discovery? European Biopharamaceutical Review, May 2008
- Obrezanova O, Csanyi G, Gola JM, Segall MD. Gaussian processes: a method for automatic QSAR modeling of ADME properties. J Chem Inf Model. 2007 Sep-Oct;47(5):1847-57.
- Gola JM, Obrezanova O, Champness E, Segall MD.ADMET property prediction: The state of the art and current challenges. QSAR Comb. Sci. 2006 Dec; 25(12):1127-29.
- Segall MD, Beresford AP, Gola JM, Hawksley D, Tarbit MH. Focus on success: using a probabilistic approach to achieve an optimal balance of compound properties in drug discovery. Expert Opin Drug Metab Toxicol. 2006 Apr;2(2):325-37.
- Tandon M, O'Donnell MM, Porte A, Vensel D, Yang D, Palma R, Beresford A, Ashwell MA. The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1709-12.
- Beresford AP, Segall M, Tarbit MH. In silico prediction of ADME properties: are we making progress? Curr Opin Drug Discov Devel. 2004 Jan;7(1):36-42.
- Butina D, Gola JM. Modeling aqueous solubility. J Chem Inf Comput Sci. 2003 May-Jun;43(3):837-41.
- Selick HE, Beresford AP, Tarbit MH. The emerging importance of predictive ADME simulation in drug discovery. Drug Discov Today. 2002 Jan 15;7(2):109-16.
- Eddershaw PJ, Beresford AP, Bayliss MK. ADME/PK as part of a rational approach to drug discovery. Drug Discov Today. 2000 Sep;5(9):409-414.
Relevant publications by others
- Dearden JC. In silico prediction of aqueous solubility. Expert Opin Drug Discov. 2006 Jun;1(1):31-52.
- Jones JP, Mysinger M, Korzekwa KR. Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction. Drug Metab Dispos. 2002 Jan;30(1):7-12.
- Korzekwa KR, Grogan J, DeVito S, Jones JP. Electronic models for cytochrome P450 oxidations. Adv Exp Med Biol. 1996;387:361-9.
- Jones JP, Shou M, Korzekwa KR. Predicting the regioselectivity and stereoselectivity of cytochrome P450-mediated reactions: structural models for bioactivation reactions. Adv Exp Med Biol. 1996;387:355-60.
- Jones JP, Korzekwa KR. Predicting the rates and regioselectivity of reactions mediated by the P450 superfamily. Methods Enzymol. 1996;272:326-35.
