Biased Diversity for Effective Virtual Screening
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DOI: 10.1021/acs.jcim.9b01155
Abstract: Virtual screening is no longer merely a matter of identifying the subset of compounds from a large collection likely to be active against a particular endpoint. This viewpoint shares some distinctive practices at Novartis, where… read more here.
Keywords: virtual screening; effective virtual; screening; diversity effective ... See more keywords
Effective virtual and residual properties of some arithmetic hyperbolic 3–manifolds
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DOI: 10.1090/tran/8190
Abstract: We give an effective upper bound, for certain arithmetic hyperbolic 3-manifold groups obtained from a quadratic form construction, on the minimal index of a subgroup that embeds in a fixed 6-dimensional right-angled reflection group, stabilizing… read more here.
Keywords: effective virtual; hyperbolic manifolds; virtual residual; arithmetic hyperbolic ... See more keywords