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…
Certara2023 年 4 月 28 日
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…
Certara2023 年 4 月 27 日
Cloud calculation exemplified
Augmenting chemical structures with calculated properties using dedicated, secure and scalable services.
Certara2023 年 4 月 24 日
Solubility prediction – ChemAxon’s solubility predictor
Aqueous solubility for organic compounds is one of the most important physico-chemical properties in modern…
Certara2023 年 4 月 19 日
What structures are claimed in patents? – use cases for patent literature MMP transformations
The MMP transformations from SureCHEMBL can be used in different ways to create analogues to…
Certara2023 年 3 月 30 日
Calculate on the cloud
In order to increase the flexibility, access and integrability, Calculators and Predictors have been made…
Certara2022 年 10 月 3 日
Stereochemistry in compound registration
Table of contents Flat bonds OR structure wedge types OR structure replicates Multiple OR labels…
Certara2022 年 8 月 14 日
Enhanced stereochemistry features – How to use them, and handle unknowns and mixtures
While the V3000 version of MDL’s molfile specification is not necessarily new in the field…
Certara2021 年 9 月 12 日
Pushing the limit of logP prediction accuracy: ChemAxon’s results for the SAMPL 6 blind challenge
SAMPL (Statistical Assessment of the Modeling of Proteins and Ligands) challenges are designed to benchmark…
Certara2021 年 9 月 2 日
Introducing Design Hub
Our new application has been born out of years of evolution on Marvin Live and…
Certara2020 年 9 月 12 日
