Web Service Clients and Downloadable Programs
The following links lead to web page clients that utilize the various web services to perform specific functionality. Some of the clients simply act as an interface to a single web service, whereas others are more involved as they combine multiple web services to produce the final page. In addition, at the end of this page are some downloadable programs, some of which interface with PubChem or PubDock.
Cheminformatics
- Molecular Similarity
- 2D structure diagrams
Predictive Models & Algorithms
- ToxTree Toxicity Hazard Predictions
- NCI DTP Anti Cancer Predictions
- Ames Mutagenecity Predictions
- Scripps Cytotoxicity Predictions
- Pharmacokinetic Parameters
Databases
Miscellaneous
- Frequent hitters
- Generate RSS feeds for PubChem queries
- Use data from Excel to generate a linear regression model
- Kemo (Simulates natural language interaction with PubChem)