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Building machine learning models using relevant features
Building accurate ML models with relevant features and Boruta algorithm. Feature selection,...
Local and Global Models For Predicting Properties of Small Molecules
Which type of model has the most potential for success? The obvious answer is all models that are...
How do predicted pKa and solubility values compare to reality?
Discover why Chemaxon's predictions are well accepted and widely used both in industry settings and...
Cloud calculation exemplified
Augmenting chemical structures with calculated properties using dedicated, secure and scalable...
Calculations you can trust
Chemaxon AWS Calculators and Predictors SaaS services has passed one of Hungary’s leading...
Calculate on the cloud
In order to increase the flexibility, access and integrability, Calculators and Predictors have...
ICCS 2022 - Translating data to predictive models
Biological, chemical and physical properties of molecules are encoded in their molecular structure....
Cheminfo Stories 2021 Virtual UGM | Boost analytical experiments with phys-chem properties
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Cheminfo Stories 2021 Virtual UGM | Leveraging data as future insight
Drug discovery projects are optimizing against multiple parameters to achieve their desired...
Cheminfo Stories 2021 Virtual UGM | Chemical consistency: from principles to applications
Chemical structures come in various shapes and sizes, depending on the scientists or even...
One-click access to cutting-edge phys-chem properties
Chemicalize delivers high quality phys-chem property predictions [Ref1, Ref2, Ref3] for advanced...
Boost analytical experiments with phys-chem properties
Physicochemical properties have a fundamental impact on analytical experiment conditions,...