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SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening.
Xiaofeng Liu
Hualiang Jiang
Honglin Li
Published in:
J. Chem. Inf. Model. (2011)
Keyphrases
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virtual screening
calculation method
drug discovery
chemical structures
similarity searching
high throughput
similarity measure
binding sites
scoring function
distance measure
biological systems
distance function
scientific data
similarity queries
similarity search
nearest neighbor
knowledge discovery