Search Result "multilevel neighborhoods of atoms"
Database Mining for pKa Prediction
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 4 Year: 2005 Page: 221-229
Author(s): Thierry Kogej, Sorel Muresan
Methods to Profile the Macromolecular Targets of Small Compounds
Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 30 Year: 2016 Page: 3657-3667
Author(s): Jianhua Zhu,Wei Wang,Xin Chen
Building a Chemical Space Based on Fragment Descriptors
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005
Prediction of Biological Activity Spectra for Substances: Evaluation on the Diverse Sets of Drug-Like Structures
Journal: Current Medicinal Chemistry
Volume: 10 Issue: 3 Year: 2003 Page: 225-233
Author(s): A. V. Stepanchikova, A. A. Lagunin, D. A. Filimonov, V. V. Poroikov
Multi-Targeted Natural Products Evaluation Based on Biological Activity Prediction with PASS
Journal: Current Pharmaceutical Design
Volume: 16 Issue: 1 Year: 2010 Page: 1703-1717
Author(s): Alexey Lagunin, Dmitry Filimonov, Vladimir Poroikov
Tuning hERG Out: Antitarget QSAR Models for Drug Development
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1399-1415
Author(s): Rodolpho C. Braga,Vinicius M. Alves,Meryck F.B. Silva,Eugene Muratov,Denis Fourches,Alexander Tropsha,Carolina H. Andrade
Prediction Oriented QSAR Modelling of EGFR Inhibition
Journal: Current Medicinal Chemistry
Volume: 13 Issue: 3 Year: 2006 Page: 277-287
Author(s): C. Szantai-Kis, I. Kovesdi, D. Eros, P. Banhegyi, A. Ullrich, G. Keri, L. Orfi
Combining Ligand- and Structure-Based Methods in Drug Design Projects
Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 250-258
Author(s): Olivier Sperandio, Maria A. Miteva, Bruno O. Villoutreix
A Decade of Computing to Traverse the Labyrinth of Protein Domains
Journal: Current Bioinformatics
Volume: 2 Issue: 2 Year: 2007 Page: 113-131
Author(s): Rajani R. Joshi
Small Molecule Databases and Chemical Descriptors Useful in Chemoinformatics: An Overview
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 548-558
Author(s): Rafael Gozalbes, Antonio Pineda-Lucena