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jxl chemoinformatics [15 articles]

最近 jxl さんのライブラリに追加された論文の中から タグ chemoinformatics. You can also see everyone's chemoinformatics.
  • Integration of Structure-Activity Relationship and Artificial Intelligence Systems To Improve in Silico Prediction of Ames Test Mutagenicity
    J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 34-38.
    by P Mazzatorta, LA Tran, B Schilter, M Grigorov
    posted to chemoinformatics by jxl on 2007-10-25 14:37:29 as ***
  • In vitro approaches to develop weight of evidence (WoE) and mode of action (MoA) discussions with positive in vitro genotoxicity results
    Mutagenesis, Vol. 22, No. 3. (1 May 2007), pp. 161-175.
    by Dj Kirkland, M Aardema, N Banduhn, P Carmichael, R Fautz, J-R Meunier, S Pfuhler
    posted to chemoinformatics mutcar by jxl on 2007-08-09 17:21:08 as ** along with 1 group EC
  • Local and Global Quantitative Structure-Activity Relationship Modeling and Prediction for the Baseline Toxicity
    J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 159-169.
    by H Yuan, Y Wang, Y Cheng
    posted to chemoinformatics by jxl on 2007-07-17 15:19:27 as ** along with 1 group EC
  • notes A Novel Logic-Based Approach for Quantitative Toxicology Prediction
    J. Chem. Inf. Model., Vol. 47, No. 3. (29 May 2007), pp. 998-1006.
    by A Amini, SH Muggleton, H Lodhi, MJE Sternberg
    posted to chemoinformatics mutcar by jxl on 2007-07-09 11:51:54 as ** along with 1 group EC
  • Chemoinformatics: past, present, and future.
    J Chem Inf Model, Vol. 46, No. 6. (c 2006), pp. 2230-2255.
    by WL Chen
    posted to chemoinformatics review by jxl on 2007-06-15 14:24:09 as ** along with 1 group EC
  • Basic overview of chemoinformatics.
    J Chem Inf Model, Vol. 46, No. 6. (c 2006), pp. 2267-2277.
    by T Engel
    posted to chemoinformatics review by jxl on 2007-06-15 14:22:46 as ** along with 3 people and 1 group Borelli alexg tullachBui EC
  • Recent Advances in Chemoinformatics.
    J Chem Inf Model (19 May 2007)
    by Dimitris K Agrafiotis, Deepak Bandyopadhyay, Jörg K Wegner, Herman V Vlijmen
    posted to chemoinformatics by jxl on 2007-06-15 14:18:52 as ** along with 3 people and 4 groups joergkurtwegner daevans LamBras EC Molecular-Modelling Drug-Design Cheminformatics
  • Chemical structure indexing of toxicity data on the internet: moving toward a flat world.
    Curr Opin Drug Discov Devel, Vol. 9, No. 3. (May 2006), pp. 314-325.
    by AM Richard, LS Gold, MC Nicklaus
    posted to chemoinformatics predictive toxicology by jxl on 2007-06-15 14:13:21 as ** along with 1 group EC
  • A Comparative Study of Machine Learning Algorithms Applied to Predictive Toxicology Data Mining
    Alternative Laboratory Animals, No. 35. (2007), pp. 25-32.
    by Daniel C Neagu, Gongde Guo, Paul R Trundle, Mark TD Cronin2
    posted to chemoinformatics ml mutcar by jxl on 2007-06-07 10:34:10 as ** along with 1 group EC
  • ADMET in silico modelling: towards prediction paradise?
    Nat Rev Drug Discov, Vol. 2, No. 3. (March 2003), pp. 192-204.
    by H van de Waterbeemd, E Gifford
    posted to chemoinformatics by jxl on 2007-05-29 16:14:59 as ** along with 1 person and 2 groups paolo Bioinformatics EC
  • notes SLIPPER-2001 - Software for Predicting Molecular Properties on the Basis of Physicochemical Descriptors and Structural Similarity
    J. Chem. Inf. Model., Vol. 42, No. 3. (28 May 2002), pp. 540-549.
    by OA Raevsky, SV Trepalin, HP Trepalina, VA Gerasimenko, OE Raevskaja
    posted to chemoinformatics by jxl on 2007-05-29 16:03:03 as ** along with 1 group EC
  • Comparison of the computer programs DEREK and TOPKAT to predict bacterial mutagenicity
    Mutagenesis, Vol. 17, No. 4. (1 July 2002), pp. 321-329.
    by Neal F Cariello, John D Wilson, Ben H Britt, David J Wedd, Brian Burlinson, Vijay Gombar
    posted to chemoinformatics by jxl on 2006-12-18 16:32:51 as ** along with 1 group EC
  • notes Future of Toxicology-Predictive Toxicology: An Expanded View of "Chemical Toxicity"
    Chem. Res. Toxicol., Vol. 19, No. 10. (16 October 2006), pp. 1257-1262.
    by AM Richard
    posted to chemoinformatics by jxl on 2006-12-12 16:52:03 as ** along with 1 group EC
  • notes Multiobjective Optimization in Quantitative Structure-Activity Relationships: Deriving Accurate and Interpretable QSARs
    J. Med. Chem., Vol. 45, No. 23. (7 November 2002), pp. 5069-5080.
    by O Nicolotti, VJ Gillet, PJ Fleming, DVS Green
    posted to chemoinformatics by jxl on 2006-11-30 11:09:33 as ** along with 1 group EC
  • notes A Review of: Predictive Toxicology
    International Journal of Toxicology, Vol. 25, No. 5. (October 2006), pp. 429-431.
    by Greene, Nigel
    posted to chemoinformatics by jxl on 2006-11-28 17:00:01 as ** along with 1 group EC
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