Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)

Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM)

(2013) Ioana Oprisiu et al.   Journal of Cheminformatics

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

(2012) Christoph Rücker et al.   GREEN CHEMISTRY

In Silico Assessment of Chemical Biodegradability

(2012) Feixiong Cheng et al.   Journal of Chemical Information and Modeling

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions

(2012) Iurii Sushko et al.   Journal of Chemical Information and Modeling

The perspectives of computational chemistry modeling

(2011) Igor V. Tetko   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

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

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

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

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

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

(2010) Iurii Sushko et al.   Journal of Chemical Information and Modeling

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Functionality Pattern Matching as an Efficient Complementary Structure/Reaction Search Tool: an Open-Source Approach

(2010) Norbert Haider   MOLECULES

Domain of EPI suite biotransformation models

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

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

(2008) Alexandre Varnek et al.   Current Computer-Aided Drug Design

Critical Assessment of QSAR Models of Environmental Toxicity againstTetrahymena pyriformis:Focusing on Applicability Domain and Overfitting by Variable Selection

(2008) Igor V. Tetko et al.   Journal of Chemical Information and Modeling

Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis

(2008) Hao Zhu et al.   Journal of Chemical Information and Modeling

Review of Estimation Models for Biodegradation

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