Search Result "mdl drug data report (mddr)"
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
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
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
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
Large Compound Databases for Structure-Activity Relationships Studies in Drug Discovery
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 7 Issue: 8 Year: 2007 Page: 851-860
Author(s): Thomas Scior, Philippe Bernard, Jose Luis Medina-Franco, Gerald. M. Maggiora
Chemoinformatics Approaches for Traditional Chinese Medicine Research and Case Application in Anticancer Drug Discovery
Journal: Current Drug Discovery Technologies
Volume: 7 Issue: 1 Year: 2010 Page: 22-31
Author(s): Xue-Juan Li, De-Xin Kong, Hong-Yu Zhang
Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 30 Year: 2017 Page: 3296-3307
Author(s): Talambedu Usha,Dhivya Shanmugarajan,Arvind Kumar Goyal,Chinaga Suresh Kumar,Sushil Kumar Middha