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Summary: Current Topics in Medicinal Chemistry 2002, 2, 1305-1320 1305
1568-0266/02 $35.00+.00 © 2002 Bentham Science Publishers Ltd.
R1 COOH R2 NH2 R3 CHO R4 NC R1
O
N
R2
R3
O
N
H
R4+ + +
Fig. (1). Reaction scheme for the construction of the Ugi library.
Retrospect and Prospect of Virtual Screening in Drug Discovery
Huafeng Xu* and Dimitris K. Agrafiotis
3-Dimensional Pharmaceuticals, Inc., 665 Stockton Drive, Exton, PA 19341, USA
Abstract: We review the prominent technologies in virtual screening, and their
applications in drug discovery.
INTRODUCTION
Pharmaceutical companies are in pursuit of two goals:
cure and profit. To achieve these goals, new drugs must be
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