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Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00582
Abstract: We present DrugScore2018, a new version of the knowledge-based scoring function DrugScore, which builds upon the same formalism used to derive DrugScore but exploits a training data set of nearly 40 000 X-ray complex structures, a…
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Keywords:
knowledge based;
based scoring;
scoring function;
drugscore2018 ... See more keywords