In silico and
experimental results are more reliable if generated with different
methods. If the results converge, the reliability increases. For
instance, carcinogenicity is tested against a variety of cell lines.
Predicting possible indications for a compound works better predicting
biological effects for a set of activities, the biological profile.
Similar, we want to develop a program that predicts reliable toxicities
of compounds by using a set of prediction tools and databases with
experimental results. If all the methods converge, we can trust the
results. The answer is a spreadsheet giving an overview of the results
of all the methods.
This is a research project, and no product is available, yet.
CWM Lead Finder
Software to evaluate quickly with
minimum user interaction a database of untested compounds for
Meta search engine to search by structure of Internet, including
Google, PubChem, eMolecules, ChemSpider, etc.
CWM Tox Predictor
Research project to combine
several tox models to see if the answers of different model
converge to predict toxicities with high reliability