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Journal of Chemical Information and Computer Sciences|December 26, 2001
Evaluation of a (1)h-(13)c NMR spectral libraryS K Smith, J Cobleigh, V SvetnikJournal of Chemical Information and Computer Sciences|December 26, 2001
Diversity and coverage of structural sublibraries selected using the SAGE and SCA algorithmsC H Reynolds, A Tropsha, L B Pfahler, et al.Journal of Chemical Information and Computer Sciences|December 26, 2001
Simulated infrared spectra of Ho(III) and Gd(III) chlorides and carboxylate complexes using effective core potentials in GAMESSK Esperdy, D D ShilladyJournal of Chemical Information and Computer Sciences|December 26, 2001
QSAR and k-nearest neighbor classification analysis of selective cyclooxygenase-2 inhibitors using topologically-based numerical descriptorsG W Kauffman, P C JursJournal of Chemical Information and Computer Sciences|July 23, 2002
Novel ZE-isomerism descriptors derived from molecular topology and their application to QSAR analysisAlexander Golbraikh, Danail Bonchev, Alexander TropshaJournal of Chemical Information and Computer Sciences|July 23, 2002
Novel methods for the prediction of logP, pK(a), and logDLi Xing, Robert C GlenJournal of Chemical Information and Computer Sciences|July 23, 2002
Assessment of the macrocyclic effect for the complexation of crown-ethers with alkali cations using the Substructural Molecular Fragments methodA Varnek, G Wipff, V P Solov'ev, et al.Journal of Chemical Information and Computer Sciences|July 23, 2002
Graphic representation of configuration in two-dimensional space. Current conventions, clarifications, and proposed extensionsHubert MaehrJournal of Chemical Information and Computer Sciences|July 23, 2002
A method for correlations analysis of coordinates: applications for molecular conformationsDoron Chema, Oren M BeckerJournal of Chemical Information and Computer Sciences|October 18, 2001
Chemical markup, XML and the World-Wide Web. 3. Toward a signed semantic chemical web of trustG V Gkoutos, P Murray-Rust, H S Rzepa, et al.Pageof 132