Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality

Jeffrey W. Godden; John R. Furr; Ling Xue; Florence L. Stahura; Jürgen Bajorath

doi:10.1021/ci0302963

Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci0302963 ◽

2004 ◽

Vol 44 (1) ◽

pp. 21-29 ◽

Cited By ~ 24

Author(s):

Jeffrey W. Godden ◽

John R. Furr ◽

Ling Xue ◽

Florence L. Stahura ◽

Jürgen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis ◽

Chemical Descriptor

Download Full-text

Molecular Similarity Analysis and Virtual Screening by Mapping of Consensus Positions in Binary-Transformed Chemical Descriptor Spaces with Variable Dimensionality.

ChemInform ◽

10.1002/chin.200416200 ◽

2004 ◽

Vol 35 (16) ◽

Author(s):

Jeffrey W. Godden ◽

John R. Furr ◽

Ling Xue ◽

Florence L. Stahura ◽

Juergen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis ◽

Chemical Descriptor

Download Full-text

ChemInform Abstract: Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening

ChemInform ◽

10.1002/chin.200920272 ◽

2009 ◽

Vol 40 (20) ◽

Cited By ~ 3

Author(s):

Igor Baskin ◽

Alexandre Varnek

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis

Download Full-text

Chapter 1. Fragment Descriptors in SAR/QSAR/QSPR Studies, Molecular Similarity Analysis and in Virtual Screening

Chemoinformatics Approaches to Virtual Screening ◽

10.1039/9781847558879-00001 ◽

2009 ◽

pp. 1-43 ◽

Cited By ~ 15

Author(s):

Igor Baskin

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis

Download Full-text

Mapping Algorithms for Molecular Similarity Analysis and Ligand-Based Virtual Screening: Design of DynaMAD and Comparison with MAD and DMC

Journal of Chemical Information and Modeling ◽

10.1021/ci060083o ◽

2006 ◽

Vol 46 (4) ◽

pp. 1623-1634 ◽

Cited By ~ 23

Author(s):

Hanna Eckert ◽

Ingo Vogt ◽

Jürgen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis ◽

Mapping Algorithms ◽

Screening Design

Download Full-text

Chapter 4. Molecular Similarity Analysis in Virtual Screening

Chemoinformatics Approaches to Virtual Screening ◽

10.1039/9781847558879-00120 ◽

2009 ◽

pp. 120-149 ◽

Cited By ~ 5

Author(s):

Lisa Peltason ◽

Jürgen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis

Download Full-text

ChemInform Abstract: Molecular Similarity Analysis in Virtual Screening

ChemInform ◽

10.1002/chin.200920271 ◽

2009 ◽

Vol 40 (20) ◽

Author(s):

Lisa Peltason ◽

Juergen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis

Download Full-text

Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches

Drug Discovery Today ◽

10.1016/j.drudis.2007.01.011 ◽

2007 ◽

Vol 12 (5-6) ◽

pp. 225-233 ◽

Cited By ~ 303

Author(s):

Hanna Eckert ◽

Jürgen Bajorath

Keyword(s):

Virtual Screening ◽

Molecular Similarity ◽

Similarity Analysis ◽

Novel Approaches

Download Full-text

Quantum molecular similarity analysis and quantitative definition of catecholamines with respect to biogenic monoamines associated: Scale alpha and beta of quantitative convergence

International Journal of Quantum Chemistry ◽

10.1002/qua.23284 ◽

2011 ◽

Vol 112 (14) ◽

pp. 2637-2642 ◽

Cited By ~ 5

Author(s):

Alejandro Morales-Bayuelo ◽

Juan Torres ◽

Ricardo Vivas-Reyes

Keyword(s):

Molecular Similarity ◽

Similarity Analysis ◽

Biogenic Monoamines ◽

Quantum Molecular Similarity ◽

Definition Of ◽

Quantitative Definition

Download Full-text

Molecular Similarity Analysis and 3D-QSAR of Neonicotinoid Insecticides

Molecular Modeling and Prediction of Bioactivity ◽

10.1007/978-1-4615-4141-7_67 ◽

2000 ◽

pp. 340-341

Author(s):

Masayuki Sukekawa ◽

Akira Nakayama

Keyword(s):

Molecular Similarity ◽

3D Qsar ◽

Similarity Analysis ◽

Neonicotinoid Insecticides

Download Full-text

Heterologous structure of coating antigen on sensitivity of ELISA for sulfamethazine: evidence from molecular similarity analysis

Food and Agricultural Immunology ◽

10.1080/09540105.2010.533752 ◽

2011 ◽

Vol 22 (2) ◽

pp. 115-124 ◽

Cited By ~ 8

Author(s):

Zhanhui Wang ◽

Jing Zhang ◽

Suxia Zhang ◽

Jianzhong Shen

Keyword(s):

Molecular Similarity ◽

Similarity Analysis ◽

Coating Antigen

Download Full-text