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QsarDB: QSAR and QSPR model repository

QsarDB Repository

QsarDB is a smart repository for (Q)SAR/QSPR models and datasets, ready for discovery, exploring, and citing.

Recent QDB archives

  • Regression
    Published: Karl Marti Toots, Sulev Sild, Jaan Leis, Acree Jr., William E., Uko Maran (2021-09-20)
    Abstract: Ionic liquids (ILs) have unique properties as solvents and electrolytes, which need to be studied using innovative machine learning approaches and which allow the identification of a chemical environment that can be adapted to different applications. The gas-ionic liquid partition coefficients of organic compounds is one such application-oriented parameter for ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_Risk Abstract The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_NIHS The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_m1535 The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_m102+wp2 The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_m100 The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_m98 The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), because ...
  • HumanHealth Classification QMRF
    Published: Michael Lawless (2021-09-02)
    Abstract: MUT_m97+1537 The Ames bacterial mutagenicity test is an important regulatory screen for potential carcinogenicity. In silico prediction of Ames positivity plays two important but somewhat distinct roles in the discovery and development of biologically active compounds. A positive Ames test does not necessarily derail development of an active ingredient (AI), ...

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