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Generating targeted leads

Guba W, Roche O. (2004) Computational filters in lead generation Targeting drug-hke chemotypes. In H Kubini, G Muller (eds), Chemogenomics in Drug Discovery — A Medicinal Chemistry Perspective, pp. 325-339. Wiley-VCH, Weinheim. [Pg.35]

In the second example, LEAP2 was utilized to help generate novel leads against an anti-angiogenesis target, caspase-3 (29, 30). A literature compound (PAC-1 with reported 3.1 xM IC50) and five of its analogs (31) were used as query molecules, and the product similarity threshold was set as top 50 final output molecules... [Pg.269]

Computational Filters in Lead Generation Targeting Drug-like Chemotypes... [Pg.325]


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