Prioritizing Direct Photolysis Products Predicted by the Chemical Transformation Simulator: Relative Reasoning and Absolute Ranking

The Possible Production of Harmful Intermediates Is the “Dark Side” Of the Environmental Photochemistry of Contaminants (Potentially Adverse Effects, And Many Knowledge Gaps)

(2020) Davide Vione et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Reaction Library to Predict Direct Photochemical Transformation Products of Environmental Organic Contaminants in Sunlit Aquatic Systems

(2020) Chenyi Yuan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Substituent effects on the direct photolysis of benzotrifluoride derivatives

(2020) Alessandro Manfrin et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Molecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction

(2019) Philippe Schwaller et al.   ACS Central Science

Prediction of Hydrolysis Products of Organic Chemicals under Environmental pH Conditions

(2017) Caroline Tebes-Stevens et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

(2016) Kamel Mansouri et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Evaluating Pesticide Degradation in the Environment: Blind Spots and Emerging Opportunities

(2013) K. Fenner et al.   SCIENCE

APEX (Aqueous Photochemistry of Environmentally occurring Xenobiotics): a free software tool to predict the kinetics of photochemical processes in surface waters

(2013) Marco Bodrato et al.   Environmental Science-Processes & Impacts

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

(2010) J. Wicker et al.   BIOINFORMATICS

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

(2008) Kathrin Fenner et al.   BIOINFORMATICS