Applications of computational chemistry, artificial intelligence, and machine learning in aquatic chemistry research

A deep learning neural network approach for predicting the sorption of ionizable and polar organic pollutants to a wide range of carbonaceous materials

(2020) Gabriel Sigmund et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Polyethylenimine-modified chitosan materials for the recovery of La(III) from leachates of bauxite residue

(2020) Feiping Zhao et al.   CHEMICAL ENGINEERING JOURNAL

Enabling pregnant women and their physicians to make informed medication decisions using artificial intelligence

(2020) Lena Davidson et al.   JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS

Artificial intelligence and machine learning to fight COVID-19

(2020) Ahmad Alimadadi et al.   PHYSIOLOGICAL GENOMICS

The upside of being a digital pharma player

(2020) Alexander Schuhmacher et al.   DRUG DISCOVERY TODAY

Simultaneous disinfection of E. faecalis and degradation of carbamazepine by sulfate radicals: An experimental and modelling study

(2020) Kai Liu et al.   ENVIRONMENTAL POLLUTION

Tracing lake pollution, eutrophication and partial recovery from the sediments of Windermere, UK, using geochemistry and sediment microfabrics

(2020) J. James Fielding et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Persistent and Emerging Organic Pollutants in the Marine Coastal Environment of the Gulf of Milazzo (Southern Italy): Human Health Risk Assessment

(2020) Fabio D’Agostino et al.   Frontiers in Environmental Science

Water Quality Prediction Using Artificial Intelligence Algorithms

(2020) Theyazn H. H Aldhyani et al.   Applied Bionics and Biomechanics

Recent advances in artificial intelligence and machine learning for nonlinear relationship analysis and process control in drinking water treatment: A review

(2020) Lei Li et al.   CHEMICAL ENGINEERING JOURNAL

Artificial intelligence in the water domain: Opportunities for responsible use

(2020) Neelke Doorn   SCIENCE OF THE TOTAL ENVIRONMENT

Mechanistic insight into superoxide radical-mediated degradation of carbon tetrachloride in aqueous solution: An in situ spectroscopic and computational study

(2020) Zonghao Luo et al.   CHEMICAL ENGINEERING JOURNAL

Electrophilicity index as a critical indicator for the biodegradation of the pharmaceuticals in aerobic activated sludge processes

(2019) Zongsu Wei et al.   WATER RESEARCH

Comparative analysis of surface water quality prediction performance and identification of key water parameters using different machine learning models based on big data

(2019) Kangyang Chen et al.   WATER RESEARCH

Machine learning in chemoinformatics and drug discovery

(2018) Yu-Chen Lo et al.   DRUG DISCOVERY TODAY

The Lancet Commission on pollution and health

(2018) Philip J Landrigan et al.   LANCET

Kinetic and mechanistic aspects of hydroxyl radical‒mediated degradation of naproxen and reaction intermediates

(2018) Shuang Luo et al.   WATER RESEARCH

Planning chemical syntheses with deep neural networks and symbolic AI

(2018) Marwin H. S. Segler et al.   NATURE

Molecular Dynamics Simulation for All

(2018) Scott A. Hollingsworth et al.   NEURON

Kinetic Study of Hydroxyl and Sulfate Radical-Mediated Oxidation of Pharmaceuticals in Wastewater Effluents

(2017) Lushi Lian et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Review: the environmental status and implications of the nitrate time lag in Europe and North America

(2017) Sara E. Vero et al.   HYDROGEOLOGY JOURNAL

Mapping concentrations of surface water quality parameters using a novel remote sensing and artificial intelligence framework

(2017) Essam Sharaf El Din et al.   INTERNATIONAL JOURNAL OF REMOTE SENSING

Polycyclic aromatic hydrocarbons (PAHs) removal by sorption: A review

(2016) Shanti Lamichhane et al.   CHEMOSPHERE

The spatio-temporal variations of surface water quality in China during the “Eleventh Five-Year Plan”

(2015) Jingbo Sun et al.   ENVIRONMENTAL MONITORING AND ASSESSMENT

Quantitative Structure–Activity Relationship (QSAR) for the Oxidation of Trace Organic Contaminants by Sulfate Radical

(2015) Ruiyang Xiao et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Direct comparison of ozonation and adsorption onto powdered activated carbon for micropollutant removal in advanced wastewater treatment

(2014) Johannes Altmann et al.   WATER RESEARCH

Phase distribution and removal of pharmaceuticals and personal care products during anaerobic sludge digestion

(2013) Masanori Narumiya et al.   JOURNAL OF HAZARDOUS MATERIALS

Artificial intelligence based modeling for predicting the disinfection by-products in water

(2012) Kunwar P. Singh et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Removal of polycyclic aromatic hydrocarbons (PAHs) from groundwater by heterogeneous photocatalysis under natural sunlight

(2012) Nuria Vela et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Seasonal variation of endocrine disrupting compounds, pharmaceuticals and personal care products in wastewater treatment plants

(2012) Yong Yu et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Modeling and optimization of trihalomethanes formation potential of surface water (a drinking water source) using Box–Behnken design

(2011) Kunwar P. Singh et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Toward robust computational electrochemical predicting the environmental fate of organic pollutants

(2011) Liudmila Sviatenko et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Stockholm Convention organochlorine pesticides and polycyclic aromatic hydrocarbons in Hong Kong air

(2009) M.P.K. Choi et al.   CHEMOSPHERE

Biodegradation aspects of Polycyclic Aromatic Hydrocarbons (PAHs): A review

(2009) A.K. Haritash et al.   JOURNAL OF HAZARDOUS MATERIALS

Predicting real-time coagulant dosage in water treatment by artificial neural networks and adaptive network-based fuzzy inference system

(2008) Guan-De Wu et al.   ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE

Performance of UV and UV/H2O2 processes for the removal of pharmaceuticals detected in secondary effluent of a sewage treatment plant in Japan

(2008) Ilho Kim et al.   JOURNAL OF HAZARDOUS MATERIALS

Application of response surface methodology (RSM) to optimize coagulation–flocculation treatment of leachate using poly-aluminum chloride (PAC) and alum

(2008) Shahin Ghafari et al.   JOURNAL OF HAZARDOUS MATERIALS