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Similarity Searching with Pharmacophore Fingerprints - Technical Issues

3 Similarity Searching with Pharmacophore Fingerprints - Technical Issues [Pg.54]

Prior to a brief discussion of specific applications of topological pharmacophore fingerprints in similarity-based virtual screening, some general remarks can be made. [Pg.54]

Similarity-driven retrieval of (hopefully) active analogs has nothing to do with actual pharmacophore elucidation. In a certain sense, it assumes that the query [Pg.54]

3 Similarity Metrics Should take Descriptor Nature into Account [Pg.56]

4 What can be Really Learned from Virtual Screening Simulations of Seeded Databases  [Pg.57]




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Fingerprint

Fingerprint pharmacophoric

Fingerprinting

Fingerprints pharmacophore

Pharmacophor

Pharmacophore

Pharmacophore searches

Pharmacophore searching

Pharmacophores

Pharmacophores fingerprints

Pharmacophoric

Search similarity

Similar pharmacophores

Similarity pharmacophore

Similarity searching

Similarity searching technical issues

Technical issues

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