| S.No |
Name of Programme |
URLCode |
Properties/Reference |
| 1. |
Derek (Lhasa Ltd) |
http://www.lhasalimited.org/ |
Lhasa Limited specialises in the development of in silico prediction and database systems for use in metabolism, toxicology and related sciences. |
| 2. |
HazardExpert (CompuDrug) |
http://www.compudrug.com/ |
CompuDrug is software tool to estimate toxicity of an organic compound in higher animals. |
| 3. |
ACD/Tox Suite (ToxBoxes) |
http://www.acdlabs.com/products/pcadmet/tox/tox/ |
ACD/Tox Suite is a collection of software modules that predict probabilities for basic toxicity endpoints. |
| 4. |
ADMET Predictor |
http://www.simulations-plus.com/Products.aspx?pID=13 |
ADMET acronym indicates all the parameters associated with absorption, metabolism, distribution, elimination, and toxicity of chemical in the human tissue. |
| 5. |
OncoLogic (USEPA) |
http://www.epa.gov/oppt/sf/pubs/oncologic.htm |
OncoLogic™ is a computer program that evaluates the likelihood that a chemical may cause cancer. |
| 6. |
Toxtree (JRC) |
http://ihcp.jrc.ec.europa.eu/our_labs/predictive_toxicology/qsar_tools/toxtree |
Toxtree open-source application that classifies toxic chemicals into various categories and predicts their toxic effect by using decision tree approaches. |
| 7. |
MolCode Toolbox |
http://www.molcode.com |
Molcode Toolboxe applies to simulate various experimentally unknown properties of compounds including physical, chemical, biological, ADME-Tox, ecological pathways/ eco-toxicity and adverse drug effects. |
| 8. |
TerraQSAR™ |
http://www.terrabase-inc.com/ |
TerraQSAR™ computation programs are designed for the quick and reliable estimation of biological effects and physico-chemical properties of organic compounds. |
| 9. |
Toxicity Estimation software tool (T.E.S.T) |
http://www.epa.gov/nrmrl/std/qsar/qsar.html |
TEST will enable users to easily estimate acute toxicity using several different QSAR methodologies including a hierarchical method, FDA method, Single-model method, Group contribution method, Nearest neighbour method, Random forest method, multiple linear regressions, and Consensus method. |
| 10. |
ORCHESTRA |
http://www.orchestra-qsar.eu |
A project funded by EC to disseminate recent research on computer-based methods to evaluate the toxicity of hazardous chemicals [64]. |
| 11. |
VirtualToxLa |
http://www.biograf.ch |
It is an in silico tool for predicting the toxicity of drugs, chemicals, and natural products. It simulates and quantifies their relations toward a series of proteins known to trigger adverse effects using automated, flexible docking combined with multidimensional QSAR [65]. |
