Download
An algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure, based on our previously introduced signature molecular descriptor.
The algorithm can generate two types of descriptors, one which is compliant with the Cahn-Ingold-Prelog priority rules, and a faster one based on our previous definition of a directed acyclic graph that isaugmented to a chiral molecular graph.
License
GNU General Public License version 3.0 (GPLv3)Follow MolSig
Other Useful Business Software
One Monitoring Tool for IT, OT and Cloud | Free Trial
Modern infrastructure spans data centers, cloud platforms and factory floors, and every blind spot between them is a risk. PRTG supports SNMP, WMI, SSH and other standard protocols to monitor IT, OT and hybrid environments through one customizable dashboard. Build the views your team needs, from network health to application performance, without switching tools. Try PRTG free for 30 days now.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of MolSig!
