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Results: 1-10 |
Results: 10
A dual fingerprint-based metric for the design of focused compound libraries and analogs
Authors: Xue, L Godden, JW Stahura, FL Bajorath, J
Citation: L. Xue et al., A dual fingerprint-based metric for the design of focused compound libraries and analogs, J MOL MODEL, 7(5), 2001, pp. 125-131
Differential shannon entropy as a sensitive measure of differences in database variability of molecular descriptors
Authors: Godden, JW Bajorath, J
Citation: Jw. Godden et J. Bajorath, Differential shannon entropy as a sensitive measure of differences in database variability of molecular descriptors, J CHEM INF, 41(4), 2001, pp. 1060-1066
Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations
Authors: Xue, L Stahura, FL Godden, JW Bajorath, J
Citation: L. Xue et al., Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculations, J CHEM INF, 41(3), 2001, pp. 746-753
Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods
Authors: Xue, L Stahura, FL Godden, JW Bajorath, J
Citation: L. Xue et al., Mini-fingerprints detect similar activity of receptor ligands previously recognized only by three-dimensional pharmacophore-based methods, J CHEM INF, 41(2), 2001, pp. 394-401
Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity
Authors: Xue, L Godden, JW Bajorath, J
Citation: L. Xue et al., Evaluation of descriptors and mini-fingerprints for the identification of molecules with similar activity, J CHEM INF, 40(5), 2000, pp. 1227-1234
Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculations
Authors: Stahura, FL Godden, JW Xue, L Bajorath, J
Citation: Fl. Stahura et al., Distinguishing between natural products and synthetic molecules by descriptor Shannon entropy analysis and binary QSAR calculations, J CHEM INF, 40(5), 2000, pp. 1245-1252
Variability of molecular descriptors in compound databases revealed by Shannon entropy calculations
Authors: Godden, JW Stahura, FL Bajorath, J
Citation: Jw. Godden et al., Variability of molecular descriptors in compound databases revealed by Shannon entropy calculations, J CHEM INF, 40(3), 2000, pp. 796-800
Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients
Authors: Godden, JW Xue, L Bajorath, J
Citation: Jw. Godden et al., Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients, J CHEM INF, 40(1), 2000, pp. 163-166
Statistical analysis of computational docking of large compound data basesto distinct protein binding sites
Authors: Godden, JW Stahura, FL Bajorath, J
Citation: Jw. Godden et al., Statistical analysis of computational docking of large compound data basesto distinct protein binding sites, J COMPUT CH, 20(15), 1999, pp. 1634-1643
Database searching for compounds with similar biological activity using short binary bit string representations of molecules
Authors: Xue, L Godden, JW Bajorath, J
Citation: L. Xue et al., Database searching for compounds with similar biological activity using short binary bit string representations of molecules, J CHEM INF, 39(5), 1999, pp. 881-886
Risultati: 1-10 |