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Journal of Chemical Information and Computer Sciences|January 28, 2003
Calculation of protein domain structural similarity using two-dimensional representationsBenjamin C P Allen, Guy H Grant, W Graham Richards
Journal of Chemical Information and Computer Sciences|January 28, 2003
Molecular quantum similarity matrix based clustering of molecules using dendrogramsPatrick Bultinck, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences|January 28, 2003
The "nearest single neighbor" method-finding families of conformations within a sampleDoron Chema, Amiram Goldblum
Journal of Chemical Information and Computer Sciences|January 28, 2003
PASS biological activity spectrum predictions in the enhanced open NCI database browserVladimir V Poroikov, Dmitrii A Filimonov, Wolf-Dietrich Ihlenfeldt, et al.
Journal of Chemical Information and Computer Sciences|January 28, 2003
Looking for an unambiguous geometrical definition of organic series from 3-d molecular similarity indicesMarina Cotta-Ramusino, Romualdo Benigni, Laura Passerini, et al.
Journal of Chemical Information and Computer Sciences|January 28, 2003
Generation and display of activity-weighted chemical hyperstructuresNathan Brown, Peter Willett, David J Wilton, et al.
Journal of Chemical Information and Computer Sciences|July 23, 2002
The interrelation of physicochemical parameters and topological descriptors for a series of beta-blocking agentsJohn M Quigley, Sarah M Naughton
Journal of Chemical Information and Computer Sciences|June 28, 2002
A 3D structure database of components from Chinese traditional medicinal herbsXuebin Qiao, Tingjun Hou, Wei Zhang, et al.
Journal of Chemical Information and Computer Sciences|June 28, 2002
The models of proton assisted and the unassisted formation of CGC base tripletsChitrani Medhi
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