Modeling and predicting aquatic aerobic biodegradation – a review from a user's perspective

Emerging Contaminants versus Micro-pollutants

(2011) Klaus Kümmerer   CLEAN-Soil Air Water

The University of Minnesota Pathway Prediction System: multi-level prediction and visualization

(2011) J. Gao et al.   NUCLEIC ACIDS RESEARCH

Predicting biodegradation products and pathways: a hybrid knowledge- and machine learning-based approach

(2010) J. Wicker et al.   BIOINFORMATICS

In silico feasibility of novel biodegradation pathways for 1,2,4-trichlorobenzene

(2010) Stacey D Finley et al.   BMC Systems Biology

Toward a Comprehensive Molecular Design Framework for Reduced Hazard

(2010) Adelina M. Voutchkova et al.   CHEMICAL REVIEWS

High-Throughput Identification of Microbial Transformation Products of Organic Micropollutants

(2010) Damian E. Helbling et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

A Framework for Evaluating the Contribution of Transformation Products to Chemical Persistence in the Environment†

(2010) Carla A. Ng et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Incorporation of in silico biodegradability screening in early drug development—a feasible approach?

(2010) Thomas Steger-Hartmann et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure

(2010) Ester Papa et al.   GREEN CHEMISTRY

PathPred: an enzyme-catalyzed metabolic pathway prediction server

(2010) Y. Moriya et al.   NUCLEIC ACIDS RESEARCH

Domain of EPI suite biotransformation models

(2010) R.S. Boethling et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Development of a biodegradation model for the prediction of metabolites in soil

(2010) S. Dimitrov et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Computational framework for predictive biodegradation

(2009) Stacey D. Finley et al.   BIOTECHNOLOGY AND BIOENGINEERING

Questioning our perceptions about evolution of biodegradative enzymes

(2009) Lawrence P Wackett   CURRENT OPINION IN MICROBIOLOGY

Identification of Transformation Products of Organic Contaminants in Natural Waters by Computer-Aided Prediction and High-Resolution Mass Spectrometry

(2009) Susanne Kern et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Chemical Domain of QSAR Models from Atom-Centered Fragments

(2009) Ralph Kühne et al.   Journal of Chemical Information and Modeling

The University of Minnesota Biocatalysis/Biodegradation Database: improving public access

(2009) Junfeng Gao et al.   NUCLEIC ACIDS RESEARCH

Data-driven extraction of relative reasoning rules to limit combinatorial explosion in biodegradation pathway prediction

(2008) Kathrin Fenner et al.   BIOINFORMATICS

Policies for Chemical Hazard and Risk Priority Setting: Can Persistence, Bioaccumulation, Toxicity, and Quantity Information Be Combined?

(2008) Jon A. Arnot et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The importance of the domain of applicability in QSAR modeling

(2008) Shane Weaver et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The University of Minnesota pathway prediction system: predicting metabolic logic

(2008) Lynda B.M. Ellis et al.   NUCLEIC ACIDS RESEARCH

Internet resources integrating many small-molecule databases1

(2008) M. Sitzmann et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Publicly-accessible QSAR software tools developed by the Joint Research Centre†

(2008) M. Pavan et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Integrated approach to assess the domain of applicability of some commercial (Q)SAR models1

(2008) S.A. Kulkarni et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

MultiCASE Expert Systems and the REACH Initiative

(2008) Roustem D. Saiakhov et al.   TOXICOLOGY MECHANISMS AND METHODS

Green chemistry tools to influence a medicinal chemistry and research chemistry based organisation

(2007) Kim Alfonsi et al.   GREEN CHEMISTRY

Review of Estimation Models for Biodegradation

(2007) Manuela Pavan et al.   Quantitative structure-activity relationships & combinatorial science