线IIII.

Karin Grillberger1, Viktoria Magel2, Marcel Leist2

  • 1Department of Pharmaceutical Sciences, University of Vienna, Josef-Holaubek-Platz 2, Vienna 1090, Austria.

PubMed
概括

基于结构的分子对接通过排名化合物危险来有效预测毒性. 这种方法,特别是共识评分,解决了传统QSAR错过的活动悬崖等挑战,有助于优先考虑更安全的化学化合物.

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