Group: Toxtree

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Toxtree Module: Cramer Rules

Toxtree Core Classes

Java Swing Related Classes

Verhaar scheme for Mode of Action prediction as in "Verhaar H.J.M., Van Leeuven C., Hermens J.L.M.,Classifying Environmental Pollutants. 1: Structure-Activity Relationships for Prediction of Aquatic Toxicity, Chemosphere, Vol.25, No.4, pp.471-491, ...

Toxtree Module: Extended Cramer Rules

Toxtree Module: Carcinogenicity (genotox and Nongenotox)and Mutagenicity Rulebase By ISS

Skin irritation prediction rules as in "The Skin Irritation Corrosion Rules Estimation Tool (SICRET), John D. Walker, Ingrid Gerner, Etje Hulzebos, Kerstin Schlegel, QSAR Comb.

Toxtree Module: START Structural Alerts For Reactivity In Toxtree (biodegradation)

Kroes, R., Renwick, A.G., Cheeseman, M., Kleiner, J., Mangelsdorf, I., Piersma, A., Schilter, B., Schlatter, J., van Schothorst, F., Vos, J.G., W�rtzen, G. (2004).

Toxtree Module: Skin Sensitisation Alerts

Implementation of Patrik Rydberg, David E. Gloriam, Jed Zaretzki, Curt Breneman and Lars Olsen, SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism

Toxtree Module: Modified Verhaar Scheme

This profiler is based on the Mutagenicity/Carcinogenicity module of the software Toxtree. It works as a decision tree for estimating in vitro (Ames test) mutagenicity, based on a list of 30 structural alerts (SAs).

Toxtree Application - "Estimation of Toxic Hazard - A Decision Tree Approach"

OpenBabel Wrapper

DNA binding alerts

Toxtree Module: Eye Irritation

Structure Alerts for the in vivo micronucleus assay in rodents

T. Wayne Schultz, Jason W.

Protein binding