Filtering databases and chemical libraries

[1] Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (18) : 3314 - 3324

[2] AJAY BGW, 1999, J MED CHEM, P4942

[3] FUNCTIONAL-GROUP CONTRIBUTIONS TO DRUG RECEPTOR INTERACTIONS [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) : 1648 - 1657

[4] Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2000, 18 (4-5) : 452 - 463

[5] Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1998, 12 (04) : 309 - 323

[6] Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (25) : 5100 - 5109

[7] Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1996, 10 (05) : 397 - 416

[8] USING SHAPE COMPLEMENTARITY AS AN INITIAL SCREEN IN DESIGNING LIGANDS FOR A RECEPTOR-BINDING SITE OF KNOWN 3-DIMENSIONAL STRUCTURE [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1988, 31 (04) : 722 - 729

[9] Empirical scoring functions .1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1997, 11 (05) : 425 - 445

[10] MOLECULAR RECOGNITION OF THE INHIBITOR AG-1343 BY HIV-1 PROTEASE - CONFORMATIONALLY FLEXIBLE DOCKING BY EVOLUTIONARY PROGRAMMING [J]. CHEMISTRY & BIOLOGY, 1995, 2 (05): : 317 - 324

[1] Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (18) : 3314 - 3324

[2] AJAY BGW, 1999, J MED CHEM, P4942

[3] FUNCTIONAL-GROUP CONTRIBUTIONS TO DRUG RECEPTOR INTERACTIONS [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) : 1648 - 1657

[4] Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2000, 18 (4-5) : 452 - 463

[5] Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1998, 12 (04) : 309 - 323

[6] Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (25) : 5100 - 5109

[7] Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1996, 10 (05) : 397 - 416

[8] USING SHAPE COMPLEMENTARITY AS AN INITIAL SCREEN IN DESIGNING LIGANDS FOR A RECEPTOR-BINDING SITE OF KNOWN 3-DIMENSIONAL STRUCTURE [J]. JOURNAL OF MEDICINAL CHEMISTRY, 1988, 31 (04) : 722 - 729

[9] Empirical scoring functions .1. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1997, 11 (05) : 425 - 445

[10] MOLECULAR RECOGNITION OF THE INHIBITOR AG-1343 BY HIV-1 PROTEASE - CONFORMATIONALLY FLEXIBLE DOCKING BY EVOLUTIONARY PROGRAMMING [J]. CHEMISTRY & BIOLOGY, 1995, 2 (05): : 317 - 324