Models

General Unified Threshold model for Survival (GUTS). R package available (search for GUTS at www.r-project.org). See also here.

The US EPA's AQUATOX model simulates fate and effects of pollutants in aquatic systems.

SPEAR: SPEAR (Species At Risk) is a bioindicator system based on biological traits and focused on various types of contaminants in fresh waters. Developed at UFZ Leipzig, by the Department of System Ecotoxicology.

DEB: The Dynamic Energy Budget (DEB) theory aims to identify simple quantitative rules for the organization of metabolism of individual organisms that can be understood from basic first principles.Developed at the Free University of Amsterdam, by the Department of Theoretical Biology.

DEBtox: The mission of DEBtox is to simplify biology to get to the essence of what toxicants (and other stresses) are actually doing to organisms. Developed at the Free University of Amsterdam, by the Department of Theoretical Biology.

FOCUS pesticide fate models: collection of models used for pesticide registration in Europe.

The WEBFRAM website allows to use pesticide risk assessment tools for free. for example you can generate SSDs there and do probabilistic risk assessments.

The CEFIC-LRI Toolbox has databases and models, e.g. on bioconcentration or biotransformation, but also environmental fate and other topics.

Multimedia fate models:
- Collection of models developed at the Canadian Environmental Modelling Centre
- Models developed at the Safety and Environmental Technology group at ETH Zürich

Software

ModelMaker
- Is a commercial software that I use a lot.
- Good for dynamic models and parameter estimation
- It's very robust, versatile and easy to learn. Highly recommended.
OpenModel
- Free software, developed by Neil Crout at the University of Nottingham, UK
- Similar to ModelMaker, but does have bugs
- Advantage: MCMC parameter estimation
MathCAD
- Commercial, but well worth it's money
- Flexible and very transparent modelling
- Also very good for day to day calculations
NetLOGO
- Individual (or agent) based modelling made easy
- Great fun, easy to learn and surprisingly powerful

The www-server for ecological modelling is a great resource. It has:
- Links to ecological models
- Links to software, tools and databases
- Links to literature, websites on modlling methods and research groups
FOOTPRINT
- Has data about virtually all active ingredients of pesticides
- Lots of information, parameters on fate & effects
- Quality controlled, quite reliable and consistent
US EPA Ecotox database
- Lots of ecotox data
- Unfortunately has lots of inconsistencies and can't be used without checks
The Umweltbundesamt of Germany (UBA, "EPA of Germany") has a very nice collection of links to databases with information about:
- Chemical properties and toxicological data
- Substance use
- Environmental quality standards
SRC free tools
- Has free physico-chemical properties database
- QSARs
Interspecies estimation correlation
- Interesting idea, based on a lot of data
- How much trust can you put into these predictions? I'm not sure, but better than no information...
The IRAC mode of action classification
- Has nice MoA posters
- Good explanations, reliable
Agency for toxic substances registry
- Lots of useful information and links
Online SMILES calculator
- Both ways, you can also draw a molecule and get the SMILES notation
Online Kow calculator
- Uses many different QSARs

Sangster's Log Kow database
- List of measured values
- With one recommended value
The freshwaterecology database contains information on
- autecology and
- geographical distribution
- of european freshwater species

The opentox website has
- software for predictive toxicology and
- is a developer and user forum

The Knowledge Network for Biocomplexity (KNB):
- has lots of datasets related to biodiversity and ecosystem functioning
- and links to software

The Environmental Health & Toxicology database:
- has links to lots of databases with chemical and toxicological data
- as well as many links and ressources for the general public
- also has medical related information

The University of Minnesota's biodegradation pathway database:
- Biodegradation of xenobiotics
- Biocatalytic reactions and pathways

The toolbox of the CEFIC LRI initiative has many usefool tools:
- Human health models and databases
- Environmental models
- Biotransformation and PBTK models

There are several data repositories for scientific data:
- A list of repositories is maintained by the Open Access Directory
- Another list of repositories is maintained by the University of Oregon
- Dryad is one repository with relevant data, but it's too early to know which repositories will be around in the long term...

Another database hosted by the US EPA with ecotoxicty data (mostly pesticides).
NATIONAL INFORMATION SYSTEM FOR THE REGIONAL IPM CENTERS