CDDLeiden / QSPRpredLinks
A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
☆72Updated 5 months ago
Alternatives and similar repositories for QSPRpred
Users that are interested in QSPRpred are comparing it to the libraries listed below
Sorting:
- Open-source tool for synthons-based library design.☆81Updated 8 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 6 months ago
- ☆85Updated last year
- ☆76Updated 2 years ago
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆43Updated last month
- Thompson Sampling☆74Updated 4 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆46Updated 3 months ago
- Mordred port in cpp☆50Updated 6 months ago
- ☆54Updated 5 months ago