Discovery Archives

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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…

CertaraApril 27, 2023

Blog

Cloud calculation exemplified

Augmenting chemical structures with calculated properties using dedicated, secure and scalable services.

CertaraApril 24, 2023

Blog

Solubility prediction – Chemaxon’s Solubility Predictor

Aqueous solubility for organic compounds is one of the most important physico-chemical properties in modern…

CertaraApril 19, 2023

Publication

Predicting pKa | ChemAxon

One of the most important physicochemical properties of small molecules and macromolecules are the dissociation…

CertaraApril 19, 2023

Announcement

EDB GlobalConnect Certified Technology Partnership

We are excited to announce that Chemaxon is now an EDB GlobalConnect Certified Technology Partner.

CertaraApril 12, 2023

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…

CertaraMarch 30, 2023

Blog

Calculate on the cloud

In order to increase the flexibility, access and integrability, Calculators and Predictors have been made…

CertaraOctober 3, 2022

Blog

Stereochemistry in Compound Registration

Table of contents Flat bonds OR structure wedge types OR structure replicates Multiple OR labels…

CertaraAugust 14, 2022

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…

CertaraSeptember 12, 2021

Blog

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…

CertaraSeptember 2, 2021

Discovery

How do predicted pKa and solubility values compare to reality?

Cloud calculation exemplified

Solubility prediction – Chemaxon’s Solubility Predictor

Predicting pKa | ChemAxon

EDB GlobalConnect Certified Technology Partnership

What Structures are Claimed in Patents? – Use cases for patent literature MMP transformations

Calculate on the cloud

Stereochemistry in Compound Registration

Enhanced Stereochemistry Features – How to Use Them, and Handle Unknowns and Mixtures

Pushing the limit of logP prediction accuracy: ChemAxon’s results for the SAMPL 6 blind challenge

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