<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Finn, P. W.</style></author><author><style face="normal" font="default" size="100%">L. E. Kavraki</style></author><author><style face="normal" font="default" size="100%">Jean-Claude Latombe</style></author><author><style face="normal" font="default" size="100%">Shelton, C.</style></author><author><style face="normal" font="default" size="100%">Venkatasubramanian, S.</style></author><author><style face="normal" font="default" size="100%">Yao, A.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">RAPID: Randomized Pharmacophore Identification for drug design</style></title><secondary-title><style face="normal" font="default" size="100%">Computational Geometry: Theory and Applications</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">computer-assisted drug design</style></keyword><keyword><style  face="normal" font="default" size="100%">kavrakilab</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">1998</style></year></dates><number><style face="normal" font="default" size="100%">4</style></number><volume><style face="normal" font="default" size="100%">10</style></volume><pages><style face="normal" font="default" size="100%">263-272</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">This paper describes a randomized approach for finding invariants in a set of flexible and chemically distinct ligands (drug molecules) that underlies an integrated software system called RAPID currently under development. An invariant is a collection of features embedded in Image3 which is present in one or more of the possible low-energy conformations of each ligand. Such invariants are called pharmacophores and contain the parts of the ligand that are primarily responsible for its binding with a receptor. The identification of pharmacophores is crucial in drug design since frequently the structure of targeted receptor is unknown but a number of molecules that interact with it have been discovered by experiments. In these cases the pharmacophore is used as a template for building more effective drugs. It is expected that our techniques and results will prove useful in other applications such as molecular database screening and comparative molecular field analysis.</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><work-type><style face="normal" font="default" size="100%">article</style></work-type></record></records></xml>