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1.
Design, Synthesis, and Phenotypic Profiling of Pyrano-Furo-Pyridone Pseudo Natural Products.
Angew Chem Int Ed Engl
; 58(41): 14715-14723, 2019 10 07.
Article
in English
| MEDLINE | ID: mdl-31339620
2.
Synthesis of Indomorphan Pseudo-Natural Product Inhibitors of Glucose Transporters GLUT-1 and -3.
Angew Chem Int Ed Engl
; 58(47): 17016-17025, 2019 11 18.
Article
in English
| MEDLINE | ID: mdl-31469221
3.
Structure-activity relationships of 2-arylamido-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide derivatives as cannabinoid receptor agonists and their analgesic action.
Bioorg Med Chem Lett
; 22(24): 7314-21, 2012 Dec 15.
Article
in English
| MEDLINE | ID: mdl-23147076
4.
Maximum-score diversity selection for early drug discovery.
J Chem Inf Model
; 51(2): 237-47, 2011 Feb 28.
Article
in English
| MEDLINE | ID: mdl-21309543
5.
Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metrics.
J Chem Inf Model
; 51(2): 203-13, 2011 Feb 28.
Article
in English
| MEDLINE | ID: mdl-21207929
6.
Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound.
Chem Biodivers
; 6(11): 1837-44, 2009 Nov.
Article
in English
| MEDLINE | ID: mdl-19937825
7.
Chromopynones are pseudo natural product glucose uptake inhibitors targeting glucose transporters GLUT-1 and -3.
Nat Chem
; 10(11): 1103-1111, 2018 11.
Article
in English
| MEDLINE | ID: mdl-30202104
8.
De novo branching cascades for structural and functional diversity in small molecules.
Nat Commun
; 6: 6516, 2015 Mar 18.
Article
in English
| MEDLINE | ID: mdl-25784617
9.
Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds.
J Pharm Sci
; 98(3): 861-93, 2009 Mar.
Article
in English
| MEDLINE | ID: mdl-18683876
10.
The Compressed Feature Matrix--a novel descriptor for adaptive similarity search.
J Mol Model
; 9(1): 66-75, 2003 Feb.
Article
in English
| MEDLINE | ID: mdl-12638013
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