Journal of Chemical Information and Modeling

ISSNs: 1549-9596

ISSNs (Electronic): 1549-960X

American Chemical Society, United States

ISI indexed (2013): yes, FI (2013): 1

Central database

Journal

  1. 2013
  2. Published

    Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico / in vitro work flow. / Kouskoumvekaki, Irene; Petersen, Rasmus K.; Fratev, Filip Filipov ; Taboureau, Olivier ; Nielsen, Thomas Eiland; Oprea, Tudor; Sonne, Si Brask; Flindt, Esben N.; Jonsdottir, Svava Osk; Kristiansen, Karsten.

    In: Journal of Chemical Information and Modeling, Vol. 53, No. 4, 2013, p. 923-937.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  3. Published

    ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design. / Diky, Vladimir; Chirico, Robert D. ; Muzny, Chris D.; Kazakov, Andrei F.; Kroenlein, Kenneth; Magee, Joseph W.; Abdulagatov, Ilmutdin; Kang, Jeong Won; Gani, Rafiqul; Frenkel, Michael.

    In: Journal of Chemical Information and Modeling, Vol. 53, No. 1, 2013, p. 249-266.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  4. 2012
  5. Published

    Accurate Stabilities of Laccase Mutants Predicted with a Modified FoldX Protocol. / Christensen, Niels Johan; Kepp, Kasper Planeta.

    In: Journal of Chemical Information and Modeling, 2012, p. 3028-3042.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  6. Published

    Estimation of environment-related properties of chemicals for design of sustainable processes: Development of group-contribution+ (GC+) models and uncertainty analysis. / Hukkerikar, Amol; Kalakul, Sawitree; Sarup, Bent; Young, Douglas M.; Sin, Gürkan; Gani, Rafiqul.

    In: Journal of Chemical Information and Modeling, Vol. 52, No. 11, 2012, p. 2823-2839.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  7. 2011
  8. Published

    Structure-Based Prediction of Subtype Selectivity of Histamine H3 Receptor Selective Antagonists in Clinical Trials. / Kim, Soo-Kyung; Fristrup, Peter; Abrol, Ravinder; Goddard, William A., III.

    In: Journal of Chemical Information and Modeling, Vol. 51, 2011, p. 3264-3274.

    Publication: Research - peer-reviewJournal article – Annual report year: 2011

  9. 2009
  10. Published

    Virtual Screening and Prediction of Site of Metabolism for Cytochrome P450 1A2 Ligands. / Vasanthanathan, P.; Hritz, Jozef; Taboureau, Olivier; Olsen, Lars; Jørgensen, F.S.; Vermeulen, N.P.E.; Oostenbrink, C.

    In: Journal of Chemical Information and Modeling, Vol. 49, No. 1, 2009, p. 43-52.

    Publication: Research - peer-reviewJournal article – Annual report year: 2009

  11. 2006
  12. Published

    Representation of Chemical Information in OASIS Centralized 3D Database for Existing Chemicals. / Nikolov, Nikolai Georgiev; Grancharov, Vanio; Stoyanova, Galina; Pavlov, Todor; Mekenyan, Ovanes.

    In: Journal of Chemical Information and Modeling, Vol. 46, No. 6, 2006, p. 2537-2551.

    Publication: Research - peer-reviewJournal article – Annual report year: 2006

  13. 2005
  14. Published

    A stepwise approach for defining the applicability domain of SAR and QSAR models. / Dimitrov, Sabcho; Dimitrova, Gergana; Pavlov, Todor; Dimitrova, Nadezhda; Patlewicz, Grace; Niemelä, Jay Russell; Mekenyan, Ovanes.

    In: Journal of Chemical Information and Modeling, Vol. 45, No. 4, 2005, p. 839-849.

    Publication: Research - peer-reviewJournal article – Annual report year: 2005

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