Zobrazeno 1 - 10
of 88
pro vyhledávání: '"D. Gute"'
Publikováno v:
ARKIVOC, Vol 2006, Iss 9, Pp 157-210 (2006)
Externí odkaz:
https://doaj.org/article/103f63bf2f1947b492916bfaca72c909
Autor:
Brian D. Gute, Jacob W. Wainman
Publikováno v:
ACS Symposium Series ISBN: 9780841237483
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a94b90218e2e7e9dd451716e01690610
https://doi.org/10.1021/bk-2019-1341.ch012
https://doi.org/10.1021/bk-2019-1341.ch012
Autor:
Tanya Gupta, Supaporn Kradtap Hartwell, Amy Flanagan Johnson, Ross Nord, Ryan T. Hayes, David W. Randall, Kirsten A. Casey, Lynn J. Tracey, Kristine E. Miller, Elizabeth A. Gabbard, Stacy I. Chamberlin, Lynetta M. Mier, Lori A. Bolyard, Brad M. Neal, Ann R. Cutler, David K. Styers-Barnett, Emily F. Kerr, Martin Samuels, Jose A. Zavala, Rajat Chadha, Diana M. Steele, Christian Ray, Jeffrey S. Moore, Susan M. King, Ninger Zhou, Christian Fischer, Fernando Rodriguez, Mark Warschauer, Susan M. Schelble, Chad L. Magee, Ryan A. Dohoney, Joan Mutanyatta-Comar, Suazette R. Mooring, Brian D. Gute, Jacob W. Wainman
Autor:
Brian D. Gute, Subhash C. Basak, Gregory D. Grunwald, Denise Mills, Alexandru T. Balaban, Kanika Basak
Publikováno v:
Current Computer Aided-Drug Design. 6:240-251
In this paper, calculated topological indices have been used to cluster a large virtual library of 12⁵ psoralen derivatives into 25 clusters in an effort to select a subset of mutually dissimilar structures from a large collection of molecules. Ins
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::253277cd56d9b7d130d0d6fdfa8cb541
https://doi.org/10.2174/1573409911006040240
https://doi.org/10.2174/1573409911006040240
Characterization of Toxicoproteomics Maps for Chemical Mixtures Using Information Theoretic Approach
Publikováno v:
Principles and Practice of Mixtures Toxicology
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18cb6157836eae646c1be3c50ddc4e82
https://doi.org/10.1002/9783527630196.ch8
https://doi.org/10.1002/9783527630196.ch8
Publikováno v:
ARKIVOC, Vol 2006, Iss 9, Pp 157-210 (2006)
This account summarizes Dr. Subhash Basak’s work in the field of molecular similarity. In particular, it looks at the development and application of quantitative molecular similarity analysis (QMSA) techniques using physicochemical properties, topo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::116551c2d9b178580810b7842a126463
https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.0007.906
https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.0007.906
Autor:
Subhash C. Basak, Brian D. Gute
Publikováno v:
SAR and QSAR in Environmental Research. 17:37-51
Three classes of arbitrary quantitative molecular similarity analysis (QMSA) methods have been computed using atom pairs (APs), topological indices (TIs), and principal components (PCs) derived from topological indices. Tailored QMSA models have been
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1184c45ae6b78a8cec173638093bafe
https://doi.org/10.1080/10659360600560933
https://doi.org/10.1080/10659360600560933
Publikováno v:
Journal of Proteome Research. 4:1347-1352
We propose a canonical labeling of proteome maps, which enables one to sort and catalog the maps in a simple way. The canonical label of a proteome map is based on the canonical labeling of vertexes of Hasse diagram embedded in the map resulting in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c61a86edf4a808db4e42803a9bb34909
https://doi.org/10.1021/pr050049+
https://doi.org/10.1021/pr050049+
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 622:127-145
Quantitative molecular similarity analysis (QMSA) methods based on structure spaces using a variety of calculated molecular descriptors and experimental properties have been used for selection of analogs and estimation of a variety of properties pert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd7bd8671ebd6cde392bf30e06bbbfc7
https://doi.org/10.1016/s0166-1280(02)00624-3
https://doi.org/10.1016/s0166-1280(02)00624-3
Publikováno v:
SAR and QSAR in Environmental Research. 13:727-742
Three classes of arbitrary quantitative molecular similarity analysis (QMSA) methods have been computed using atom pairs, topological indices, and physicochemical properties. Tailored QMSA models have been developed using a selected number of TIs cho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2dbc8713fea5e42f1a2102e7637559e4
https://doi.org/10.1080/1062936021000043463
https://doi.org/10.1080/1062936021000043463