Search Result "/MDL Drug Data Report/database"
The Use of Weighted 2D Fingerprints in Similarity- Based Virtual Screening
Ebook: Advances in Mathematical Chemistry and Applications Volume 1 (Revised Edition)
Volume: 1 Year: 2015
Author(s): Shereena M. Arif,John D. Holliday,Peter Willett
Doi: 10.2174/9781681081977115010009
The Use of Weighted 2D Fingerprints in Similarity-Based Virtual Screening
Ebook: Advances in Mathematical Chemistry and Applications
Volume: 1 Year: 2014
Author(s): Shereena M. Arif,John D. Holliday,Peter Willett
Doi: 10.2174/9781608059287114010009
Virtual High Throughput Screening Using Combined Random Forest and Flexible Docking
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 5 Year: 2009 Page: 484-489
Author(s): Dariusz Plewczynski, Marcin von Grotthuss, Leszek Rychlewski, Krzysztof Ginalski
Target Specific Compound Identification Using a Support Vector Machine
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 10 Issue: 3 Year: 2007 Page: 189-196
Author(s): Dariusz Plewczynski, Marcin von Grotthuss, Stephane A. H. Spieser, Leszek Rychewski, Lucjan S. Wyrwicz, Krzysztof Ginalski, Uwe Koch
Hierarchical Docking of Databases of Multiple Ligand Conformations
Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 739-749
Author(s): David M. Lorber, Brian K. Shoichet
Chemical and Biological Profiling of an Annotated Compound Library Directed to the Nuclear Receptor Family
Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 763-772
Author(s): Montserrat Cases, Ricard Garcia-Serna, Kristina Hettne, Marc Weeber, Johan V. Lei, Scott Boyer, Jordi Mestres
QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier
The Art of Data Mining the Minefields of Toxicity Databases to Link Chemistry to Biology
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 2 Year: 2006 Page: 135-150
Author(s): Chihae Yang, Ann M. Richard, Kevin P. Cross
Visualization of the Chemical Space in Drug Discovery
Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 4 Year: 2008 Page: 322-333
Author(s): Jose L. Medina-Franco, Karina Martinez-Mayorga, Marc A. Giulianotti, Richard A. Houghten, Clemencia Pinilla
Assessment of the Health Effects of Chemicals in Humans: II. Construction of an Adverse Effects Database for QSAR Modeling
Journal: Current Drug Discovery Technologies
Volume: 1 Issue: 4 Year: 2004 Page: 243-254
Author(s): Edwin J. Matthews, Naomi L. Kruhlak, James L. Weaver, R. Daniel Benz, Joseph F. Contrera