Download Alvascience alvaModel 2.0.6 Quantitative QSAR/QSPR models.

alvaModel software crack download with license is a software tool from Alvascience to create Quantitative Structure Activity/Property Relationship (QSAR/QSPR) models. These models can be used to predict the biological, physicochemical and environmental properties of chemicals.

Alvascience’s solution to build and deploy QSAR/QSPR regression and classification models consists of two pieces of software: alvaModel and alvaRunner. The latter is a software tool that allows you to apply the models, created using alvaModel, on a new set of molecules without the need of any other software tool.

This solution separates the training of the models from their deployment. Therefore, it allows you to deploy your models to other parties (e.g., if you want to make them available to prove their reproducibility) or to use models created by others (e.g., if you want to test a model described in a scientific paper).

Since the number of descriptors in a alvaDesc project can be quite big (up to 5000), alvaModel can perform a feature selection, based on Genetic Algorithms, in order to find the best models according to a defined score (e.g., R2, Q2, RMSE).

Regression model

  • Ordinary Least Squares (OLS) model
  • Partial Least Squares (PLS) model
  • KNN regression model
  • Support Vector Machine (SVM) model
  • Consensus model defined as the arithmetic mean of the values predicted by the selected models

Classification model

  • Linear and Quadratic Discriminant Analysis (LDA/QDA) model
  • Partial Least Squares Discriminant Analysis (PLS-DA) model
  • KNN classification model
  • Support Vector Machine (SVM) model
  • Consensus model defined assigning the class based on the majority of the values predicted by the selected models

Alvascience alvaModel software details:

  • Supported operating systems: Windows x64
  • File Size: 21 MB
  • Crack: Full Crack
  • License type: single user and lifetime
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