New fragment weighting scheme for the bayesian inference network in ligand-based virtual screening
Many of the conventional similarity methods assume that molecular fragments that do not relate to biological activity carry the same weight as the important ones. One possible approach to this problem is to use the Bayesian inference network (BIN), which models molecules and reference structures as...
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| Main Authors: | , |
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| Format: | Article |
| Published: |
American Chemical Society
2011
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| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/29463/ http://dx.doi.org/10.1021/ci100232h |
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| Institution: | Universiti Teknologi Malaysia |