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Page 1
Intercorrelation of Major DNA/RNA Sequence Descriptors - A Preliminary Study.
Curr Comput Aided Drug Des. 2016;12(3):216-228. doi: 10.2174/1573409912666160525111918.
Curr Comput Aided Drug Des. 2016.
PMID: 27222032
Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood-brain Barrier Entry of Chemical Compounds Using Machine Learning.
Majumdar S, Basak SC, Lungu CN, Diudea MV, Grunwald GD.
Majumdar S, et al. Among authors: grunwald gd.
Mol Inform. 2019 Aug;38(8-9):e1800164. doi: 10.1002/minf.201800164. Epub 2019 Jul 19.
Mol Inform. 2019.
PMID: 31322827
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Use of mathematical structural invariants in analyzing combinatorial libraries: a case study with psoralen derivatives.
Basak SC, Mills D, Gute BD, Balaban AT, Basak K, Grunwald GD.
Basak SC, et al. Among authors: grunwald gd.
Curr Comput Aided Drug Des. 2010 Dec;6(4):240-51. doi: 10.2174/1573409911006040240.
Curr Comput Aided Drug Des. 2010.
PMID: 20883202
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Adapting interrelated two-way clustering method for quantitative structure-activity relationship (QSAR) modeling of mutagenicity/non- mutagenicity of a diverse set of chemicals.
Majumdar S, Basak SC, Grunwald GD.
Majumdar S, et al. Among authors: grunwald gd.
Curr Comput Aided Drug Des. 2013 Dec;9(4):463-71. doi: 10.2174/15734099113096660045.
Curr Comput Aided Drug Des. 2013.
PMID: 24138420
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