Y C Martin
Affiliation: Abbott Laboratories
- Molecular diversity: how we measure it? Has it lived up to its promise?Y C Martin
Abbott Laboratories, Abbott Park, IL 60064, USA
Farmaco 56:137-9. 2001..There continues to be an opportunity for innovative computational approaches to solving problems in medicinal chemistry...
- Do structurally similar molecules have similar biological activity?Yvonne C Martin
Global Pharmaceutical Research and Development, Abbott Laboratories, Abbott Park, IL 60064 6100, USA
J Med Chem 45:4350-8. 2002..The current study emphasizes the statistical or probabilistic nature of library design and that perfect results cannot be expected...
- A general and fast scoring function for protein-ligand interactions: a simplified potential approachI Muegge
Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, Illinois 60064 6100, USA
J Med Chem 42:791-804. 1999..The use of the new scoring function in docking studies is outlined...
- Computational methods in molecular diversity and combinatorial chemistryM G Bures
Abbott Laboratories, Abbott Park, IL 60064 3500, USA
Curr Opin Chem Biol 2:376-80. 1998..Recent advances include a number of new and meaningful measures of molecular diversity and the use of genetic algorithms to help design diverse libraries...
- Ligand binding to domain-3 of human serum albumin: a chemometric analysisPhilip J Hajduk
Pharmaceutical Discovery Division, Abbott Laboratories, Abbott Park, IL 60044, USA
J Comput Aided Mol Des 17:93-102. 2003..This information can be valuable for optimizing a particular series of compounds for drug development...
- A bioavailability scoreYvonne C Martin
Advanced Technology Division, Global Pharmaceutical Research and Development, Abbott Laboratories, Abbott Park, IL 60064 6100, USA yvonne c martin abbott com
J Med Chem 48:3164-70. 2005..This same categorization distinguishes compounds that are poorly permeable from those that are permeable in Caco-2 cells. Further validation is provided with human bioavailability values from the literature...