Beyond rotatable bond counts: capturing 3D conformational flexibility in a single descriptor

JGP Wicker, RI Cooper - Journal of Chemical Information and …, 2016 - ACS Publications
A new molecular descriptor, nConf20, based on chemical connectivity, is presented which
captures the accessible conformational space of a molecule. Currently the best available …
被引用次数：31 相关文章

Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

JGP Wicker, RI Cooper - Journal of chemical information …, 2016 - pubmed.ncbi.nlm.nih.gov
A new molecular descriptor, nConf 20, based on chemical connectivity, is presented which
captures the accessible conformational space of a molecule. Currently the best available …

Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

J Wicker, R Cooper - Journal of Chemical Information and Modeling, 2016 - ora.ox.ac.uk
A new molecular descriptor, nConf20, based on chemical connectivity, is presented which
captures the accessible conformational space of a molecule. Currently the best available 2 …

[引用][C] Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

JGP Wicker, RI Cooper - Journal of Chemical Information and Modeling, 2016 - cir.nii.ac.jp
Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor
| CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 論文・データをさがす 大学 …

Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor.

JG Wicker, RI Cooper - Journal of Chemical Information and …, 2016 - europepmc.org
Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor.
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[PDF][PDF] Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

JGP Wicker, RI Cooper - J. Chem. Inf. Model, 2016 - scholar.archive.org
A new molecular descriptor, nConf20, based on chemical connectivity, is presented which
captures the accessible conformational space of a molecule. Currently the best available …
[HTML] nih.gov

[HTML][HTML] Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor

JGP Wicker, RI Cooper - Journal of Chemical Information and …, 2016 - ncbi.nlm.nih.gov
Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor
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