?url_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.relation=http%3A%2F%2Fmiis.maths.ox.ac.uk%2Fmiis%2F161%2F&rft.title=Classification+of+Chemical+Compound+Pharmacophore+Structures&rft.creator=Bona%2C+Andrej&rft.creator=Laflamme%2C+Claude&rft.subject=Medical+and+pharmaceutical&rft.description=A+pharmacophore+is+a+structural+abstraction+of+the+interactions+between+various+functional+group+types+in+a+compound.+They+are+described+by+a+spatial+representation+of+these+groups+as+centres+(or+vertices)+of+geometrical+polyhedra%2C+together+with+pairwise+distances+between+distances.%0A%0AWe+provide+an+analysis+that+facilitates+counting+3+and+4+centre+pharmacophores%2C+including+a+mathematical+model+for+distance+interval+ratios%2C+triangle+and+other+inequality+requirements+for+feasible+triangles+and+tetrahedra%2C+and+symmetries.+%0A%0ABeside+spatial+symmetries+and+and+distance+similarities+for+each+edge+of+the+polyhedra%2C+there+does+not+appear+to+be+any+other+relevant+structural+similarity+feature+between+two+pharmacophores+that+can+be+used+to+reduce+the+classification+of+a+typical+compound.&rft.date=1999&rft.type=Study+Group+Report&rft.type=NonPeerReviewed&rft.format=application%2Fpdf&rft.language=en&rft.identifier=http%3A%2F%2Fmiis.maths.ox.ac.uk%2Fmiis%2F161%2F1%2Fpharmacophore.pdf&rft.identifier=++Bona%2C+Andrej+and+Laflamme%2C+Claude++(1999)+Classification+of+Chemical+Compound+Pharmacophore+Structures.++%5BStudy+Group+Report%5D+++++