A predictive toolset for the identification of degradation pattern and toxic hazard estimation of multimeric hazardous compounds persists in water bodies

Trends in predictive biodegradation for sustainable mitigation of environmental pollutants: Recent progress and future outlook

(2021) Anil Kumar Singh et al.   SCIENCE OF THE TOTAL ENVIRONMENT

New Mechanistic Insights into the Lignin β-O-4 Linkage Acidolysis with Ethylene Glycol Stabilization Aided by Multilevel Computational Chemistry

(2021) Alessandra De Santi et al.   ACS Sustainable Chemistry & Engineering

Lignin peroxidase in focus for catalytic elimination of contaminants — A critical review on recent progress and perspectives

(2021) Anil Kumar Singh et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Bioremediation of lignin derivatives and phenolics in wastewater with lignin modifying enzymes: Status, opportunities and challenges

(2021) Anil Kumar Singh et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrence, environmental fate, ecological issues, and redefining of endocrine disruptive estrogens in water resources

(2021) Muhammad Bilal et al.   SCIENCE OF THE TOTAL ENVIRONMENT

In silico analytical toolset for predictive degradation and toxicity of hazardous pollutants in water sources

(2021) Anil Kumar Singh et al.   CHEMOSPHERE

In silico toxicology: From structure-activity relationships towards deep learning and adverse outcome pathways

(2020) Jennifer Hemmerich et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Treatment of mixed industrial wastewater by electrocoagulation and indirect electrochemical oxidation

(2020) P.V. Nidheesh et al.   CHEMOSPHERE

Open access in silico tools to predict the ADMET profiling of drug candidates

(2020) Supratik Kar et al.   Expert Opinion on Drug Discovery

In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM

(2020) Noemi Angeles Durán-Iturbide et al.   ACS Omega

Chlorine dioxide bleaching of nineteen non-wood plant pulps

(2020) Taslima Ferdous et al.   NORDIC PULP & PAPER RESEARCH JOURNAL

Reaction Mechanism of Phenolic Lignin and High Concentration Chlorine Dioxide and Its Application

(2020) Baojie Liu et al.   ACS Omega

Selective C–O Bond Cleavage of Lignin Systems and Polymers Enabled by Sequential Palladium-Catalyzed Aerobic Oxidation and Visible-Light Photoredox Catalysis

(2019) Gabriel Magallanes et al.   ACS Catalysis

In silico ADME and Toxicity Prediction of Ceftazidime and Its Impurities

(2019) Ying Han et al.   Frontiers in Pharmacology

Pulp and paper mill effluent management

(2019) Haitham Elnakar et al.   WATER ENVIRONMENT RESEARCH

Peroxidase evolution in white-rot fungi follows wood lignin evolution in plants

(2019) Iván Ayuso-Fernández et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Biotransformation and Cytotoxicity Evaluation of Kraft Lignin Degraded by Ligninolytic Serratia liquefaciens

(2019) Anil Kumar Singh et al.   Frontiers in Microbiology

The effect of the transition from elemental chlorine bleaching to chlorine dioxide bleaching in the pulp industry on the formation of PCDD/Fs

(2019) Peter Axegård   CHEMOSPHERE

Fungal lignin peroxidase does not produce the veratryl alcohol cation radical as a diffusible ligninolytic oxidant

(2018) Carl J. Houtman et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Evaluation of Screened Lignin-degrading Fungi for the Biological Pretreatment of Corn Stover

(2018) Yingjie Su et al.   Scientific Reports

Lignin-Derived Biomaterials for Drug Release and Tissue Engineering

(2018) Markus Witzler et al.   MOLECULES

Environmentally-related contaminants of high concern: Potential sources and analytical modalities for detection, quantification, and treatment

(2018) Tahir Rasheed et al.   ENVIRONMENT INTERNATIONAL

PubChem 2019 update: improved access to chemical data

(2018) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

The investigation of paper mill industry wastewater treatment and activated sludge properties in a submerged membrane bioreactor

(2017) Hanife Sari Erkan et al.   WATER SCIENCE AND TECHNOLOGY

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction

(2016) Hakime Öztürk et al.   BMC BIOINFORMATICS

Evaluation of TOPKAT, Toxtree, and Derek Nexus in Silico Models for Ocular Irritation and Development of a Knowledge-Based Framework To Improve the Prediction of Severe Irritation

(2016) Barun Bhhatarai et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Binding of Pollutants to Biomolecules: A Simulation Study

(2016) Ahmet Yildirim et al.   CHEMICAL RESEARCH IN TOXICOLOGY

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

(2016) Antoine Daina et al.   ChemMedChem

Assessment of predictive models for estimating the acute aquatic toxicity of organic chemicals

(2016) Fjodor Melnikov et al.   GREEN CHEMISTRY

Cleavage of the lignin β-O-4 ether bond via a dehydroxylation–hydrogenation strategy over a NiMo sulfide catalyst

(2016) Chaofeng Zhang et al.   GREEN CHEMISTRY

The utility of QSARs in predicting acute fish toxicity of pesticide metabolites: A retrospective validation approach

(2016) Natalie Burden et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

In silico toxicology: computational methods for the prediction of chemical toxicity

(2016) Arwa B. Raies et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

enviPath – The environmental contaminant biotransformation pathway resource

(2015) Jörg Wicker et al.   NUCLEIC ACIDS RESEARCH

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Biodegradability assessments of organic substances and polymers

(2014) Gérald Thouand   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Degradation and biodegradability improvement of the olive mill wastewater by peroxi-electrocoagulation/electrooxidation-electroflotation process with bipolar aluminum electrodes

(2014) Yahya Esfandyari et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

(2014) Antoine Daina et al.   Journal of Chemical Information and Modeling

Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium

(2013) Rahul Singh et al.   ACS Chemical Biology

Comparison of In Silico Models for Prediction of Mutagenicity

(2013) NAZANIN G. BAKHTYARI et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

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

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

The emerging role for bacteria in lignin degradation and bio-product formation

(2010) Timothy DH Bugg et al.   CURRENT OPINION IN BIOTECHNOLOGY

An evaluation of the implementation of the Cramer classification scheme in the Toxtree software

(2008) G. Patlewicz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH