Ligand-based virtual screening using bayesian networks
A Bayesian inference network (BIN) provides an interesting alternative to existing tools for similarity-based virtual screening. The BIN is particularly effective when the active molecules being sought have a high degree of structural homogeneity but has been found to perform less well with structur...
Main Authors: | Abdo, Ammar, Salim, Naomie, Chen, Beining, Mueller, Christoph, Willett, Peter |
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Format: | Article |
Published: |
American Chemical Society
2010
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Subjects: |
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