Key properties in drug design | Predicting lipophilicity, pKa and solubility Blog Key properties in drug design | Predicting lipophilicity, pKa and solubility Discover how Chemaxon's predictive models for lipophilicity, pKa, and solubility can accurately predict key molecular…Certara2023 年 5 月 12 日
Collaborating with CROs within the DMTA cycle Blog Collaborating with CROs within the DMTA cycle Important factors when collaborating with a CRO It is becoming increasingly popular for drug discovery…Certara2023 年 4 月 29 日
Local and global models for predicting properties of small molecules Blog 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? 博客 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 Blog 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 Blog 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 Blog 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 Blog 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 Blog 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 Blog 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