New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
第一作者:
Jérôme,Hert
第一单位:
Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, Western Bank, Sheffield S10 2TN, U.K.
作者:
主题词
人工智能(Artificial Intelligence);计算生物学(Computational Biology);计算机模拟(Computer Simulation);药物评价, 临床前(Drug Evaluation, Preclinical);配体(Ligands);构效关系(Structure-Activity Relationship)
DOI
10.1021/ci050348j
PMID
16562973
发布时间
2019-12-10
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