July 30th, 2019: JChem Microservices 19.7.3
No changes.
June 3rd, 2019: JChem Microservices 19.7.2
No changes.
April 11th, 2019: JChem Microservices 19.7.1
No changes.
March 8th, 2019: JChem Microservices 19.7.0
No changes.
February 28th, 2019: JChem Microservices 19.6.0
Improvements
- New modul - Markush (Markush Enumeration) - has been implemented.
- Structure manipulation modul has been extended by
- Extractor
- Fragmenter
- Molecule cleaner
Bugfixes
- Substructure search returned NaN if similarity value was requested but could not be calculated. From now on, fingerprint bit distance is returned instead of similarity value.
February 13th, 2019: JChem Microservices 19.4.0
Improvements
- Calculations modul has been extended by
- Topology analyser
- Polar surface area
- Major microspecies
February 4th, 2019: JChem Microservices 19.3.0
Improvements
- Calculations modul has been extended by
- HBDA
- logD
- pKa distribution
- Canonical tautomerization
- Dominant tautomerization
January 23rd, 2019: JChem Microservices 19.2.0
No changes.
January 11th, 2019: JChem Microservices 19.1.0
Improvements
- Calculations modul has been extended by
- Elemental analysis
- HLB
- Isoelecztic point
- logP
- pKa
- Solubitility
- Stereoisomer
December 14th, 2018: JChem Microservices 18.30.0
Improvements.
- New modul - Calculations - has been implemented