MOLECULAR SIMILARITY ANALYSIS

作者: José L. Medina-Franco , Gerald M. Maggiora

DOI: 10.1002/9781118742785.CH15

关键词:

摘要:

参考文章(137)
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell, Optimal assignment methods for ligand-based virtual screening Journal of Cheminformatics. ,vol. 1, pp. 14- 14 ,(2009) , 10.1186/1758-2946-1-14
Rajarshi Guha, John H. Van Drie, Structure--activity landscape index: identifying and quantifying activity cliffs. Journal of Chemical Information and Modeling. ,vol. 48, pp. 646- 658 ,(2008) , 10.1021/CI7004093
Simon K. Kearsley, Susan Sallamack, Eugene M. Fluder, Joseph D. Andose, Ralph T. Mosley, Robert P. Sheridan, CHEMICAL SIMILARITY USING PHYSIOCHEMICAL PROPERTY DESCRIPTORS Journal of Chemical Information and Computer Sciences. ,vol. 36, pp. 118- 127 ,(1996) , 10.1021/CI950274J
T. R. Hagadone, Molecular substructure similarity searching: efficient retrieval in two-dimensional structure databases Journal of Chemical Information and Computer Sciences. ,vol. 32, pp. 515- 521 ,(1992) , 10.1021/CI00009A019
Gisbert Schneider, Werner Neidhart, Thomas Giller, Gerard Schmid, “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening Angewandte Chemie International Edition. ,vol. 38, pp. 2894- 2896 ,(1999) , 10.1002/(SICI)1521-3773(19991004)38:19<2894::AID-ANIE2894>3.0.CO;2-F
Yuan Wang, Jürgen Bajorath, Balancing the influence of molecular complexity on fingerprint similarity searching. Journal of Chemical Information and Modeling. ,vol. 48, pp. 75- 84 ,(2008) , 10.1021/CI700314X
Lisa Peltason, Jürgen Bajorath, SAR index: quantifying the nature of structure-activity relationships. Journal of Medicinal Chemistry. ,vol. 50, pp. 5571- 5578 ,(2007) , 10.1021/JM0705713
Sarah J Edgar, John D Holliday, Peter Willett, Effectiveness of retrieval in similarity searches of chemical databases: a review of performance measures Journal of Molecular Graphics and Modelling. ,vol. 18, pp. 343- 357 ,(2000) , 10.1016/S1093-3263(00)00061-9
Yuan Wang, Jürgen Bajorath, Development of a compound class-directed similarity coefficient that accounts for molecular complexity effects in fingerprint searching. Journal of Chemical Information and Modeling. ,vol. 49, pp. 1369- 1376 ,(2009) , 10.1021/CI900108D
José L. Medina-Franco, Gerald M. Maggiora, Marc A. Giulianotti, Clemencia Pinilla, Richard A. Houghten, A Similarity‐based Data‐fusion Approach to the Visual Characterization and Comparison of Compound Databases Chemical Biology & Drug Design. ,vol. 70, pp. 393- 412 ,(2007) , 10.1111/J.1747-0285.2007.00579.X