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Virtual Computational Chemistry Laboratory

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on-line software


  • ALOGPS 2.1* is the most accurate program to predict lipophilicity and aqueous solubility of molecules
  • ASNN* calculates highly predictive non-linear neural network models
  • E-BABEL is molecular structure information interchange hub
  • PNN produces clearly interpretable analytical non-linear models
  • PCLIENT generates more than 3000 descriptors
  • E-DRAGON calculates DRAGON molecular indices
  • PLS implements original two-step descriptors selection procedure
  • UFS produces a reduced data set that contains no redundancy and a minimal amount of multicollinearity

    If you have any questions, problems to run applets, please, contact

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