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Journal of Chemical Information and Computer Sciences|June 21, 2001
Prediction of mutagenicity of aromatic and heteroaromatic amines from structure: a hierarchical QSAR approachS C Basak, D R Mills, A T Balaban, et al.Journal of Chemical Information and Computer Sciences|June 21, 2001
Quantitative structure-property relationships (QSPRs) for the estimation of vapor pressure: a hierarchical approach using mathematical structural descriptorsS C Basak, D MillsJournal of Chemical Information and Computer Sciences|June 21, 2001
Fingerprint scaling increases the probability of identifying molecules with similar activity in virtual screening calculationsL Xue, F L Stahura, J W Godden, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Information content in organic molecules: quantification and statistical structure via Brownian processingDaniel J Graham, Christopher Malarkey, Matthew V SchulmerichJournal of Chemical Information and Computer Sciences|September 28, 2004
Assessment of the oral rat chronic lowest observed adverse effect level model in TOPKAT, a QSAR software package for toxicity predictionR Venkatapathy, C J Moudgal, R M BruceJournal of Chemical Information and Computer Sciences|September 28, 2004
CoNTub: an algorithm for connecting two arbitrary carbon nanotubesSantiago Melchor, José A DobadoJournal of Chemical Information and Computer Sciences|September 28, 2004
Nonlinear prediction of quantitative structure-activity relationshipsPeter Tiño, Ian T Nabney, Bruce S Williams, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
Analysis of similarity/dissimilarity of DNA sequences based on nonoverlapping triplets of nucleotide basesBo Liao, Tian-Ming WangJournal of Chemical Information and Computer Sciences|September 28, 2004
A graphical tool for the prediction of vicinal proton-proton 3J(HH) coupling constantsArmando Navarro-Vázquez, Juan Carlos Cobas, Francisco Javier Sardina, et al.Journal of Chemical Information and Computer Sciences|September 28, 2004
PROSIT: pseudo-rotational online service and interactive tool, applied to a conformational survey of nucleosides and nucleotidesGuangyu Sun, Johannes H Voigt, Igor V Filippov, et al.Pageof 132