Optibrium

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.

• Multi-Parameter Optimisation in Drug Discovery
  Matthew Segall
  Innovations in Pharmaceutical Technology, December 2011, pp. 42-46
• Combining Chemists' Expertise and a Computers Advanced Capabilities to Generate 'Good' Ideas
  Matthew Segall, Edmund Champness, Chris Leeding, Ryan Lilien*, Ramgopal Mettu* and Brian Stevens* (* Cadre Research Labs)
  Drug Discovery World, Fall 2011, pp. 15-23
• Multi-parameter optimization: The delicate balancing act of drug discovery October 2011
  Matthew Segall
  Drug Discovery News Commentary, October 2011
• An interview with...Matt Segall
  Matt Segall
  International Drug Discovery, Fall 2011
• Applying Medicinal Chemistry Transformations and Multiparameter Optimization to Guide the Search for High-Quality Leads and Candidates
  Matthew Segall, Ed Champness, Chris Leeding, Ryan Lilien*, Ramgopal Mettu* and Brian Stevens* (* Cadre Research Labs)
  J. Chem. Inf. Model. (DOI: 10.1021/ci2003208)
• The Risks of Subconcious Biases in Drug Discovery Decision-Making
  M.D.Segall and A.T.Chadwick (Tessella)
  Future Med. Chem. (2011) 3(7), pp. 771-774
• Overcoming Bias in Drug Discovery
  Matt Segall & Andrew Chadwick (Tessella)
  Drug Discovery & Development Vol. 14, No. 1, January, 2011, pp. 18-19
• Guiding effective decisions: an interview with Matthew Segall, CEO of Optibrium
  Wendy Warr
  J. Comp. Aided Mol. Design (DOI 10.1007/s10822-011-9411-7)
• Making Priors a Priority
  Matthew Segall
  J. Comp. Aided Mol. Design (DOI 10.1007/s10822-010-9388-7)
• Visual Analyses for Guiding Compound Design and Selection
  Edmund Champness
  Innovations in Pharmaceutical Technology, Septempber 2010 (Issue 34)
• Overcoming Human Cognitive Bias
  Matthew Segall
  Pharma Magazine, Sept/Oct 2010
• Improving R&D with Better Decision Making
  Matthew Segall and Edmund Champness
  Genetic Engineering & Biotechnology News, September 1 2010 (Vol. 30, No. 15)
• Overcoming psychological barriers to good discovery decisions
  Andrew Chadwick and Matthew Segall
  Drug Discovery Today, 2010, 15 (13/14), pp. 561-569
• Gaussian Processes for Classification: QSAR Modeling of ADMET and Target Activity
  Olga Obrezanova and Matthew D. Segall
  J. Chem. Inf. Model., 2010, 50 (6), pp 1053-1061
• Beyond Profiling: Using ADMET models to guide decisions.
  M. D. Segall, E. Champness, O. Obrezanova, C. Leeding
  Chemistry & Biodiversity, Volume 6, Issue 11, Pages 2144 - 2151
• Send for the Software Specialists
  Segall MD
  Pharmaceutical Executive Europe, August 2008
• Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility
  Obrezanova O, Gola JMR, Champness E, Segall MD
  J. Comp. Aided Mol. Design 2008 Jun;22(6-7):431-440
• Why is it still Drug Discovery?
  Segall MD
  European Biopharamaceutical Review, May 2008
• Gaussian processes: a method for automatic QSAR modeling of ADME properties
  Obrezanova O, Csanyi G, Gola JM, Segall MD
  J. Chem. Inf. Model. 2007 Sep-Oct;47(5):1847-57
• ADMET property prediction: The state of the art and current challenges
  Gola JM, Obrezanova O, Champness E, Segall MD
  QSAR Comb. Sci. 2006 Dec; 25(12):1127-29
• Focus on success: using a probabilistic approach to achieve an optimal balance of compound properties in drug discovery
  Segall MD, Beresford AP, Gola JM, Hawksley D, Tarbit MH
  Expert Opin. Drug. Metab. Toxicol. 2006 Apr;2(2):325-37
• The design and preparation of metabolically protected new arylpiperazine 5-HT1A ligands
  Tandon M, O'Donnell MM, Porte A, Vensel D, Yang D, Palma R, Beresford A, Ashwell MA
  Bioorg. Med. Chem. Lett. 2004 Apr 5;14(7):1709-12
• In silico prediction of ADME properties: are we making progress?
  Beresford AP, Segall M, Tarbit MH
  Curr. Opin. Drug Discov. Devel. 2004 Jan;7(1):36-42
• Modeling aqueous solubility
  Butina D, Gola JM
  J. Chem. Inf. Comput. Sci. 2003 May-Jun;43(3):837-41.
• The emerging importance of predictive ADME simulation in drug discovery
  Selick HE, Beresford AP, Tarbit MH
  Drug Discovery Today. 2002 Jan 15;7(2):109-16
• ADME/PK as part of a rational approach to drug discovery
  Eddershaw PJ, Beresford AP, Bayliss MK
  Drug Discovery Today. 2000 Sep;5(9):409-414

Relevant publications by others

• In silico prediction of aqueous solubility
  Dearden JC
  Expert Opin. Drug Discov. 2006 Jun;1(1):31-52
• Computational models for cytochrome P450: a predictive electronic model for aromatic oxidation and hydrogen atom abstraction
  Jones JP, Mysinger M, Korzekwa KR
  Drug Metab. Dispos. 2002 Jan;30(1):7-12
• Electronic models for cytochrome P450 oxidations
  Korzekwa KR, Grogan J, DeVito S, Jones JP
  Adv. Exp. Med. Biol. 1996;387:361-9
• Predicting the regioselectivity and stereoselectivity of cytochrome P450-mediated reactions: structural models for bioactivation reactions
  Jones JP, Shou M, Korzekwa KR
  Adv. Exp. Med. Biol. 1996;387:355-60
• Predicting the rates and regioselectivity of reactions mediated by the P450 superfamily
  Jones JP, Korzekwa KR
  Methods Enzymol. 1996;272:326-35