Acknowledgements and References

• John Bradshaw
• Jack Delany
• Roger Sayle
• Ragu Bharadwaj

References:

• Early (80's) fragment-assembling work at Lederle.
• combine.c (Weininger?) - contrib program (~1991/pre-reaction kit).
• ALEMBIC (GCL program), Bradshaw & Maliski, Drug Design and Discovery, 1992, 9, 1-9.
• enumerate.c (Delany) - contrib program (~1996)
• MUG Talk and US Patent: Chemical GA work "grok and grope", Weininger, Blaney, Dixon.
• RECAP, REtrosynthetic Combinatorial Analysis Procedure, XiaoQing Lewell, (fragment selection rules, etc.).
• MSI product Diversity Explorer(TM)
• MUG'97 Talk: Virtual Chemistry Laboratory (Weininger)
• Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research, Cramer RD, et al., Journal of Chemical Information and Computer Science 38,1998, 1010-1023.
• Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties Valerie J. Gillet, Peter Willett, John Bradshaw, and Darren V. S. Green, JCICS 1999 39(1) 169-177.
• EuroMUG'99 Talk: GoForth (Yang)
• EuroMUG'99 Talk: Library design using Daylight in 2D and 3D (Andrew Leach, GlaxoWellcome)
• Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design Andrew R. Leach, John Bradshaw, Darren V. S. Green, and Michael M. Hann , John J. Delany III, JCICS 1999, 39(6), 1161-1172.