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Can we trust docking results?
Sept 2010 IBM Systems and Technology Group releases a white paper with eHiTS and Cell
Oct 2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007
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| 240th ACS
Aug 22-26, 2010
Boston, MA, USA
booth #945
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CAESA: Computer
Assisted Estimation of Synthetic Accessibility
Publications
The list of publication for the CAESA program is the following:
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V.J. Gillet, G. Myatt, Z. Zsoldos, A.P. Johnson: "SPROUT,
HIPPO and CAESA: Tools for de novo structure generation and estimation of
synthetic accessibility"; Perspect. Drug Discov. Design, 1995, vol:
3, pages: 34-50
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P. Mata, V.J. Gillet, A.P. Johnson, J. Lampreia, G.J. Myatt,
S. Sike, A. Stebbings: "SPROUT-3D structure generation using templates";
J. Chem. Inf. Comput. Sci., 1995, vol: 35, pages: 479-493
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Z. Zsoldos, G. Myatt, V.J. Gillet, A. Johnson: "New
developments in the SPROUT program for de-novo design and the CAESA
system for estimation of synthetic accessibility"; Abstr. Pap. Am.
Chem. Soc., 1994, Aug 21, vol: 208, pages: 159-COMP
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V.J. Gillet, P. Mata, G. Myatt, W.R. Newelll, S. Sike, Z. Zsoldos,
A.P. Johnson: "Programs for de-novo structure generation and estimation
of synthetic accessibility"; Abstr. Pap. Am. Chem. Soc., 1994., Mar 13, vol:
207, pages: 99-COMP
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V.J. Gillet, W.R. Newelll, P. Mata, G. Myatt, S.
Sike, Z. Zsoldos, A.P. Johnson: "SPROUT - recent developments in the
de-novo design of molecules"; J. Chem. Inf. Comput. Sci., 1994, vol: 34, pages:
207-217
Ph.D. theses defended by CAESA program developers:
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Glenn J. Myatt, Ph.D. Thesis, Leeds University, 1995
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Jon C. Baber, Ph.D. Thesis, Leeds University, 1999
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