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Spectrophore,Pharmacophore,Affinity fingerprinting,Artificial cage,Descriptor,Fingerprint,Compound similarity,QSAR,Tanimoto,Acetylcholinesterase,Thrombin,Scaffold hopping,Virtual screening
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https://doi.org/10.1186/s13321-018-0268-9
Springer International Publishing
Journal of Cheminformatics, https://doi.org/10.1186/s13321-018-0268-9
Spectrophore
Pharmacophore
Affinity fingerprinting
Artificial cage
Descriptor
Fingerprint
Compound similarity
QSAR
Tanimoto
Acetylcholinesterase
Thrombin
Scaffold hopping
Virtual screening
Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening
Rafaela Gladysz
Fabio Mendes Dos Santos
Wilfried Langenaeker
Gert Thijs
Koen Augustyns
Hans De Winter
10.1186/s13321-018-0268-9
2010-04-23
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