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y-Randomization and Its Variants in QSPR/QSAR
Journal of Chemical Information and Modeling, (2007)
info:doi/10.1021/ci700157b
Posted by baoilleach to QSAR methodology stackit on Thu Sep 20 2007 at 12:14 UTC | info | related
 
Atom pairs as molecular features in structure-activity studies: definition and applications
Journal of Chemical Information and Modeling 25 (2), 64 (1985)
info:doi/10.1021/ci00046a002
Posted by baoilleach to cheminformatics algorithms stackit on Thu Sep 13 2007 at 15:51 UTC | info | related
 
Lost in translation
Declan Butler
Nature 449 (7159), 158-9 (13 Sep 2007)
info:doi/10.1038/449158a
Posted by baoilleach and 1 other to stackit drug design Neglected diseases malaria on Thu Sep 13 2007 at 10:56 UTC | info | related
 
Understanding topological symmetry: A heuristic approach to its determination
Journal of Computational Chemistry, (2007)
info:doi/10.1002/jcc.20816
Topological symmetry
Posted by baoilleach to stackit cheminformatics algorithms on Wed Sep 12 2007 at 13:03 UTC | info | related
 
Malaria Journal | Full text | Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space?
Malaria Journal 5 (1), 110 (2006)
info:doi/10.1186/1475-2875-5-110
Posted by baoilleach and 1 other to stackit malaria on Fri Sep 07 2007 at 14:00 UTC | info | related
 
Synthesis of Anthropomorphic Molecules: The NanoPutians
The Journal of Organic Chemistry 68 (23), 8750 (2003)
info:doi/10.1021/jo0349227
Posted by baoilleach to stackit Funny on Mon Sep 03 2007 at 11:16 UTC | info | related
 
The properties of known drugs. 1. Molecular frameworks.
G W Bemis and M A Murcko
Journal of medicinal chemistry 39 (15), 2887-93 (19 Jul 1996)
info:pmid/8709122 | info:doi/10.1021/jm9602928
Posted by baoilleach and 3 others to fragment analysis stackit on Fri Aug 31 2007 at 10:06 UTC | info | related
 
CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup and Local Rotational Symmetry Consideration
Journal of Chemical Information and Modeling, (2007)
info:doi/10.1021/ci700136x
Posted by baoilleach to stackit on Sat Aug 11 2007 at 14:08 UTC | info | related
 
Article DOI Lookup
Journal of Medicinal Chemistry 47 (1), 80 (2004)
info:doi/10.1021/jm030161o
Posted by baoilleach to stackit on Fri Aug 10 2007 at 14:37 UTC | info | related
 
Protein side-chain rearrangement in regions of point mutations
Proteins Structure Function and Genetics 50 (2), 272 (2003)
info:doi/10.1002/prot.10276
Posted by baoilleach to stackit flexible docking on Fri Aug 10 2007 at 13:41 UTC | info | related

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