Predictive Computational Tools for Assessment of Ecotoxicological Activity of Organic Micropollutants in Various Water Sources in Brazil

Predictive ecotoxicity of MoA 1 of organic chemicals using in silico approaches

(2018) Luana de Morais e Silva et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

(Eco)toxicological maps: A new risk assessment method integrating traditional and in silico tools and its application in the Ledra River (Italy)

(2018) Giuseppa Raitano et al.   ENVIRONMENT INTERNATIONAL

Review of the fate and transformation of per- and polyfluoroalkyl substances (PFASs) in landfills

(2018) Hanna Hamid et al.   ENVIRONMENTAL POLLUTION

Treating organic cyanide-containing groundwater by immobilization of a nitrile-degrading bacterium with a biofilm-forming bacterium using fluidized bed reactors

(2018) Xuejiao An et al.   ENVIRONMENTAL POLLUTION

Halogenated organic pollutants in aquatic, amphibious, and terrestrial organisms from an e-waste site: Habitat-dependent accumulation and maternal transfer in watersnake

(2018) Yu Liu et al.   ENVIRONMENTAL POLLUTION

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors

(2018) Stephen J. Capuzzi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Rapid experimental measurements of physicochemical properties to inform models and testing

(2018) Chantel I. Nicolas et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrence and ecotoxicological assessment of pharmaceuticals: Is there a risk for the Mediterranean aquatic environment?

(2018) Fanny Desbiolles et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Organic contamination and remediation in the agricultural soils of China: A critical review

(2018) Jianteng Sun et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrence and diversity of antibiotic resistance in untreated hospital wastewater

(2018) Qiang Wang et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrence and distribution of antibiotics and antibiotic resistance genes in Ba River, China

(2018) Jia Jia et al.   SCIENCE OF THE TOTAL ENVIRONMENT

QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals

(2018) Paola Gramatica et al.   Environmental Science-Processes & Impacts

Biodegradation of anionic surfactants by Alcaligenes faecalis, Enterobacter cloacae and Serratia marcescens strains isolated from industrial wastewater

(2018) Mourad Fedeila et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Spatio-temporal evaluation of emerging contaminants and their partitioning along a Brazilian watershed

(2017) Diana Nara Ribeiro de Sousa et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Screening and prioritization of micropollutants in wastewaters from on-site sewage treatment facilities

(2017) Meritxell Gros et al.   JOURNAL OF HAZARDOUS MATERIALS

Determining Multivariate Analysis Sampling Frequency for Monitoring Contamination Caused by Trout Farms

(2017) Mitra Tavakol et al.   POLISH JOURNAL OF ENVIRONMENTAL STUDIES

Suspect screening of micropollutants and their transformation products in advanced wastewater treatment

(2017) Ahmad A. Deeb et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Integrating chemical analysis and bioanalysis to evaluate the contribution of wastewater effluent on the micropollutant burden in small streams

(2017) Peta A. Neale et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrences and removal of pharmaceuticals and personal care products (PPCPs) in drinking water and water/sewage treatment plants: A review

(2017) Yi Yang et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Contamination sources and distribution patterns of pharmaceuticals and personal care products in Alpine rivers strongly affected by tourism

(2017) Ladislav Mandaric et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Pesticides drive risk of micropollutants in wastewater-impacted streams during low flow conditions

(2017) Nicole A. Munz et al.   WATER RESEARCH

Negative environmental impacts of antibiotic-contaminated effluents from pharmaceutical industries

(2017) Ana Bielen et al.   WATER RESEARCH

Role of nanomaterials in water treatment applications: A review

(2016) Chella Santhosh et al.   CHEMICAL ENGINEERING JOURNAL

Predicting persistence in the sediment compartment with a new automatic software based on the k -Nearest Neighbor ( k -NN) algorithm

(2016) Alberto Manganaro et al.   CHEMOSPHERE

Initial hazard screening for genotoxicity of photo-transformation products of ciprofloxacin by applying a combination of experimental and in-silico testing

(2016) Anju Priya Toolaram et al.   ENVIRONMENTAL POLLUTION

Effects of diuron and carbofuran pesticides in their pure and commercial forms on Paramecium caudatum : The use of protozoan in ecotoxicology

(2016) Adrislaine S. Mansano et al.   ENVIRONMENTAL POLLUTION

Pesticides in the Ebro River basin: Occurrence and risk assessment

(2016) Alexander Ccanccapa et al.   ENVIRONMENTAL POLLUTION

Do pharmaceuticals reach and affect the aquatic ecosystems in Brazil? A critical review of current studies in a developing country

(2016) Gabrielle Rabelo Quadra et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

(2016) Denis Fourches et al.   Journal of Chemical Information and Modeling

Analysis of 17- β -estradiol and 17- α -ethinylestradiol in biological and environmental matrices — A review

(2016) Luisa Barreiros et al.   MICROCHEMICAL JOURNAL

QSAR Modeling and Prediction of Drug–Drug Interactions

(2016) Alexey V. Zakharov et al.   MOLECULAR PHARMACEUTICS

Chemoinformatics: Achievements and Challenges, a Personal View

(2016) Johann Gasteiger   MOLECULES

Multicriteria assessment of advanced treatment technologies for micropollutants removal at large-scale applications

(2016) X.T. Bui et al.   SCIENCE OF THE TOTAL ENVIRONMENT

A preliminary nationwide survey of the presence of emerging contaminants in drinking and source waters in Brazil

(2016) Kelly C. Machado et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Occurrence and removal of organic micropollutants: An overview of the watch list of EU Decision 2015/495

(2016) Marta O. Barbosa et al.   WATER RESEARCH

Curation of chemogenomics data

(2015) Denis Fourches et al.   Nature Chemical Biology

Emerging pollutants in the environment: present and future challenges in biomonitoring, ecological risks and bioremediation

(2015) Maria Gavrilescu et al.   New Biotechnology

Investigation of pharmaceuticals, personal care products and endocrine disrupting chemicals in a tropical urban catchment and the influence of environmental factors

(2015) Luhua You et al.   SCIENCE OF THE TOTAL ENVIRONMENT

A review on emerging contaminants in wastewaters and the environment: Current knowledge, understudied areas and recommendations for future monitoring

(2015) Bruce Petrie et al.   WATER RESEARCH

A 3-year study on occurrence of emerging contaminants in an urban stream of São Paulo State of Southeast Brazil

(2014) Mariele B. Campanha et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Polar organic micropollutants in the coastal environment of different marine systems

(2014) Karsten Nödler et al.   MARINE POLLUTION BULLETIN

A review on the occurrence of micropollutants in the aquatic environment and their fate and removal during wastewater treatment

(2014) Yunlong Luo et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Pharmaceuticals as emerging contaminants and their removal from water. A review

(2013) José Rivera-Utrilla et al.   CHEMOSPHERE

Data Set Modelability by QSAR

(2013) Alexander Golbraikh et al.   Journal of Chemical Information and Modeling

QSAR Modeling: Where Have You Been? Where Are You Going To?

(2013) Artem Cherkasov et al.   JOURNAL OF MEDICINAL CHEMISTRY

QSPR prediction of physico-chemical properties for REACH

(2013) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QSAR Modeling is not “Push a Button and Find a Correlation”: A Case Study of Toxicity of (Benzo-)triazoles on Algae

(2012) Paola Gramatica et al.   Molecular Informatics

Determination of Antibiotics in Brazilian Surface Waters Using Liquid Chromatography–Electrospray Tandem Mass Spectrometry

(2010) Marco Antonio F. Locatelli et al.   ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY

Per aspera ad astra: application of Simplex QSAR approach in antiviral research

(2010) Eugene N Muratov et al.   Future Medicinal Chemistry

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

Assessing selected estrogens and xenoestrogens in Brazilian surface waters by liquid chromatography–tandem mass spectrometry

(2010) Fernando F. Sodré et al.   MICROCHEMICAL JOURNAL

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Occurrence of Emerging Contaminants in Brazilian Drinking Waters: A Sewage-To-Tap Issue

(2009) Fernando F. Sodré et al.   WATER AIR AND SOIL POLLUTION

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

On Some Aspects of Variable Selection for Partial Least Squares Regression Models

(2007) Partha Pratim Roy et al.   Quantitative structure-activity relationships & combinatorial science