Title: Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures Author(s): HERT, J; WILLETT, P; WILTON, DJ Source: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES Volume: 44 Issue: 3 Pages: 1177-1185 Published: MAY-JUN 2004 Times Cited: 142 DOI: 10.1021/ci034231b
added
10-Mar-08
2.
Title: Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures Author(s): HERT, J; WILLETT, P; WILTON, DJ; et al. Source: ORGANIC & BIOMOLECULAR CHEMISTRY Volume: 2 Issue: 22 Pages: 3256-3266 Published: 2004 Times Cited: 108 DOI: 10.1039/b409865j
added
10-Mar-08
3.
Title: New methods for ligand-based virtual screening: Use of data fusion and machine learning to enhance the effectiveness of similarity searching Author(s): HERT, J; WILLETT, P; WILTON, DJ; et al. Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING Volume: 46 Issue: 2 Pages: 462-470 Published: MAR-APR 2006 Times Cited: 70 DOI: 10.1021/ci050348j
added
10-Mar-08
4.
Title: Predicting new molecular targets for known drugs Author(s): KEISER, MJ; SETOLA, V; IRWIN, JJ; et al. Source: NATURE Volume: 462 Issue: 7270 Pages: 175-U48 Published: NOV 12 2009 Times Cited: 33 DOI: 10.1038/nature08506
added
03-Dec-09
5.
Title: Quantifying the relationships among drug classes Author(s): HERT, J; KEISER, MJ; IRWIN, JJ; et al. Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING Volume: 48 Issue: 4 Pages: 755-765 Published: 2008 Times Cited: 24
added
20-May-08
6.
Title: Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information Author(s): HERT, J; WILLETT, P; WILTON, DJ; et al. Source: JOURNAL OF MEDICINAL CHEMISTRY Volume: 48 Issue: 22 Pages: 7049-7054 Published: NOV 3 2005 Times Cited: 22 DOI: 10.1021/jm050316n
added
10-Mar-08
7.
Title: Quantifying biogenic bias in screening libraries Author(s): HERT, J; IRWIN, JJ; LAGGNER, C; et al. Source: NATURE CHEMICAL BIOLOGY Volume: 5 Issue: 7 Pages: 479-483 Published: JUL 2009 Times Cited: 12 DOI: 10.1038/nchembio.180
