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
Five basic things you need to know about MarvinSketch
Whether you are in academia or in industry as a chemist, a drawing package is…
Certara2013 年 9 月 2 日
Clustering by scaffolds | ChemAxon
This post is a tutorial to a new component in IJC, the Tree Table. Do…
Certara2013 年 9 月 2 日
Comparison of Nine Programs Predicting pKa Values of Pharmaceutical Substances
Knowledge of the possible ionization states of a pharmaceutical substance, embodied in the pKa values…
Certara2011 年 9 月 11 日
