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Journal of Chemical Information and Computer Sciences|November 1, 1996
Prediction of material properties from chemical structures. The clearing temperature of nematic liquid crystals derived from their chemical structures by artificial neural networksH Kränz, V Vill, B MeyerJournal of Chemical Information and Computer Sciences|November 1, 1996
RASSE: a new method for structure-based drug designZ Luo, R Wang, L LaiJournal of Chemical Information and Computer Sciences|March 1, 1997
GA strategy for variable selection in QSAR studies: GA-based PLS analysis of calcium channel antagonistsK Hasegawa, Y Miyashita, K FunatsuJournal of Chemical Information and Computer Sciences|May 1, 1988
Structure generation by reduction: a new strategy for computer-assisted structure elucidationB D Christie, M E MunkJournal of Chemical Information and Computer Sciences|May 1, 1989
Clustering a large number of compounds. 1. Establishing the method on an initial sampleL HodesJournal of Chemical Information and Computer Sciences|February 1, 1981
The GENE-TOX program: genetic activity evaluationM D Waters, A AulettaJournal of Chemical Information and Computer Sciences|February 1, 1981
An assessment of carcinogenicity of N-nitroso compounds by the SIMCA method of pattern recognitionW J Dunn, S WoldJournal of Chemical Information and Computer Sciences|August 12, 1999
Characterization of fold diversity among proteins with the same number of amino acid residuesG A Arteca, O TapiaJournal of Chemical Information and Computer Sciences|June 11, 1999
Development of three-dimensional descriptors represented by tensors: free energy of hydration density tensorS H Son, C K Han, S K Ahn, et al.Journal of Chemical Information and Computer Sciences|April 8, 1999
Validation and subsequent development of the DEREK skin sensitization rulebase by analysis of the BgVV list of contact allergensM D Barratt, J J LangowskiPageof 132