Cited by 177Environmental Chemistry and AnalysisComputational Drug Discovery MethodsPesticide and Herbicide Environmental Studies

The DOI matches its Crossref record; 385 of the 387 references it cites were found in a registry or an index.

Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

Open access

Mamy, Laure, Patureau, Dominique, Barriuso, Enrique, Bedos, Carole, Bessac, Fabienne, Louchart, Xavier, Martin-laurent, Fabrice, Miege, Cecile, Benoit, Pierre·2015·Critical Reviews in Environmental Science and Technology

DOI 10.1080/10643389.2014.955627PMC PMC4376206

Open this paper in CoChat — free account Open PDF

Abstract

hydrophobic behavior (especially through the K OW parameter), adsorption to soils and biodegradation.A lack of QSAR was observed to estimate desorption or potential of transfer to water.Among the 686 molecular descriptors, five were found to be dominant in the 790 collected equations and the most generic ones: four quantumchemical descriptors, the energy of the highest occupied molecular orbital (E HOMO ) and the energy of the lowest unoccupied molecular orbital (E LUMO ), polarizability (α) and dipole moment (μ), and one constitutional descriptor, the molecular weight.Keeping in mind that the combination of descriptors belonging to different categories (constitutional, topological, quantum-chemical) led to improve QSAR performances, these descriptors should be considered for the development of new QSAR, for further predictions of environmental parameters.This review also allows finding of the relevant QSAR equations to predict the fate of a wide diversity of compounds in the environment.

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

Integrity signals

Registry

Crossref · 10.1080/10643389.2014.955627

Cites

385 of 385 references verified0 citation errors · 0 not checkable

Statistics

Claims the paper makes

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

Self-check

Percentages, sums and reported differences re-computed from the paper’s own numbers.

The self-check needs the paper’s full text.

Characterization of molecular branching
Randić, M. (1975) · Journal of the American Chemical Society · doi:10.1021/ja00856a001 · Cited by 3,683
Substituent constants for correlation analysis in chemistry and biology
Hansch, C. H., & Leo, A. J. (1979) · Medical Entomology and Zoology · Cited by 2,910
Principles of QSAR models validation: internal and external
Gramatica, P. (2007) · QSAR & Combinatorial Science · doi:10.1002/qsar.200610151 · Cited by 2,249
Quantum-Chemical Descriptors in QSAR/QSPR Studies
Karelson, M. M., Lobanov, V. S., & KATRITZKY, A. R. (1996) · Chemical Reviews · doi:10.1021/cr950202r · Cited by 1,627
Topological Indices and Related Descriptors in QSAR and QSPR
(2000) · CRC Press eBooks · doi:10.1201/9781482296945 · Cited by 1,319
Environmental Toxicology and Chemistry
Pellegrini, E., Contin, M., Vittori Antisari, L., Vianello, G., Ferronato, C., & De Nobili, M. (2025) · Environmental Toxicology and Chemistry · doi:10.1002/(issn)1552-8618 · Cited by 1,096
Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
Meylan, W. M., & Howard, P. H. (1995) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600840120 · Cited by 862
The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography
Abraham, M. H., & McGowan, J. C. (1987) · Chromatographia · doi:10.1007/bf02311772 · Cited by 861
Octanol-water partition coefficients of polychlorinated biphenyl congeners
Hawker, D. W., & Connell, D. (1988) · Environmental Science & Technology · doi:10.1021/es00169a004 · Cited by 860
Groundwater ubiquity score: A simple method for assessing pesticide leachability
Gustafson, D. I. (1989) · Environmental Toxicology and Chemistry · doi:10.1002/etc.5620080411 · Cited by 826

Show all 387 references

Research works printed but not linked: 14

ChemOffice, 2009, ChemOffice Ultra 12.0 molecular modelling software
Frisch M.J., 2009, Gaussian 09
HyperChem, 2007, Hyperchem 8.0
Kier L.B., 1999, Topological Indices and Related Descriptors in QSAR and QSPR, 491
Kier L.B., 2002, Croatica Chemica Acta, 75, 371
Organization for Economic Cooperation and Development, 1992, OECD guideline for testing of chemicals. Ready biodegradability
Organization for Economic Cooperation and Development, 1993, Application of structure-activity relationships to the estimation of properties important in exposure assessment. Environment monograph No 67
Organization for Economic Cooperation and Development, 2009, OECD guideline for testing of chemicals. Inherent biodegradability: modified MITI test (II), 302 C
Organization for Economic Cooperation and Development, 2013, Introduction to (quantitative) structure activity relationships
Pompe M., 2007, Acta Chimica Slovenica, 54, 605, 10.1021/ci990427t · DOI
10.1002/(SICI)1099-128X(199603)10:2<79::AID-CEM406>3.0.CO;2-F · DOI
Sabljic A., 1981, Acta Pharmaceutica Jugolsavica, 31, 189
10.1002/1521-3838(200211)21:5<457::AID-QSAR457>3.0.CO;2-5 · DOI
TORVS Research Team, 1999, Parameter estimation for the treatment of reactivity applications

Sorted by citations

Items 101–177 of 177

Impact of seawater temperature and physical-chemical properties on sorption of pharmaceuticals, stimulants, and biocides to marine particles
Sørensen, L., Hovsbakken, I. A., Wielogórska, E., Creese, M., Sarno, A., Caban, M., Sokołowski, A., & Øverjordet, I. B. (2024) · Environmental Pollution · doi:10.1016/j.envpol.2024.124838 · Cited by 6
Ecological footprint of ionophores in livestock production: Environmental pathways and effects
Alam, M., Basir, M. S., Sultan, M. B., Murshed, M. F., Hossain, S., & Anik, A. H. (2025) · Water Environment Research · doi:10.1002/wer.70052 · Cited by 6
Application of Gas Chromatographic Data and 2d Molecular Descriptors for Accurate Global Mobility Potential Prediction
Studziński, W., Przybyłek, M., & Gackowska, A. (2022) · Environmental Pollution · doi:10.1016/j.envpol.2022.120816 · Cited by 6
QSPR predicting the vapor pressure of pesticides into high/low volatility classes
Duchowicz, P. R., Fioressi, S. E., Bacelo, D. E., Quispe, A. Q., Tapia, E. L. Y., & Castañeta, H. (2023) · Environmental Science and Pollution Research · doi:10.1007/s11356-023-31235-8 · Cited by 6
State of Bioremediation in Bangladesh: Current Concept and Implementation Compared to Global Approaches
Noor, R., Ahmed, T., & Munshi, S. K. (2016) · CLEAN - Soil Air Water · doi:10.1002/clen.201500622 · Cited by 6
Zinc chloride-activated Denim waste carbon for methylene blue removal
Usman-Cholik, M. A., Amran, F., & Zaini, M. A. A. (2024) · Analele Universităţii "Ovidius" Constanţa. Seria Chimie/"Ovidius" University Annals of Chemistry · doi:10.2478/auoc-2024-0014 · Cited by 5
PHYSPROPNET: A Benchmarking Study of Machine Learning Models for Physicochemical Property Prediction in Data-Limited Environmental Research
Wasswa, J., & Barsainyan, A. A. (2025) · ACS ES&T Water · doi:10.1021/acsestwater.5c00850 · Cited by 5
Atomic-level AI topological indices as efficient descriptors for developing predictive QSPR models for flash points of acyclic alkanes
Fazehi, F., & Safa, F. (2023) · Journal of Thermal Analysis and Calorimetry · doi:10.1007/s10973-022-11859-7 · Cited by 5
Atomic-Level Topological Indices for Prediction of the Infinite Dilution Activity Coefficients of Oxo Compounds in Water
Safa, F. (2020) · Journal of Solution Chemistry · doi:10.1007/s10953-020-00954-8 · Cited by 5
Prediction of the Partition Coefficient between Adipose Tissue and Blood for Environmental Chemicals: From Single QSAR Models to an Integrated Approach
Cappelli, C. I., Manganelli, S., Toma, C., Benfenati, E., & Mombelli, E. (2020) · Molecular Informatics · doi:10.1002/minf.202000072 · Cited by 5
Immobilized artificial membrane-chromatographic and computational descriptors in studies of soil-water partition of environmentally relevant compounds
Sobańska, A. W. (2022) · Environmental Science and Pollution Research · doi:10.1007/s11356-022-22514-x · Cited by 5
Dissipation of chlortetracycline in the aquatic environment: Characterization in terms of a generalized multiphase pseudo–zero‐order rate law
Zaranyika, M. F., & Dzomba, P. (2019) · International Journal of Chemical Kinetics · doi:10.1002/kin.21311 · Cited by 5
Role of plant–microbe systems in remediation of petrochemical-contaminated water and soil environment
Singh, S., Kumar, V., Datta, S., Dhanjal, D. S., Parihar, P., & Singh, J. (2020) · Elsevier eBooks · doi:10.1016/b978-0-12-821199-1.00008-0 · Cited by 5
Biotransformation of Antibiotics by Coriolopsis gallica: Degradation of Compounds Does Not Always Eliminate Their Toxicity
Ghariani, B., Zouari-Mechichi, H., Alessa, A. H., Alqahtani, H., Alsaigh, A. A., & Mechichi, T. (2025) · Antibiotics · doi:10.3390/antibiotics14090897 · Cited by 4
Integrative modeling of POPs output flux from soil at a regional scale: A comprehensive approach
Chen, X., Wang, M., Xie, T., Song, Y., & Chen, W. (2024) · Environment International · doi:10.1016/j.envint.2024.109182 · Cited by 4
Bifunctional properties of silver and polyvinylpyrrolidone modified multi-phase MnO2 for enhanced RhB degradation and DNA gyrase/DHFR targeted bactericidal potential
Ikram, M., Akhtar, T., Shujah, T., Haider, A., Shahzadi, I., Haider, A. M., Ul‐Hamid, A., & Fouda, A. M. (2025) · Materials Chemistry and Physics · doi:10.1016/j.matchemphys.2025.131254 · Cited by 4
Structure-property-biodegradability relationships in phosphonium-based ionic liquids: Experimental investigation and DFT computations
Khodakarami, M., Rahman, M. H., Misra, M., & Menezes, P. L. (2025) · Journal of Molecular Structure · doi:10.1016/j.molstruc.2025.143764 · Cited by 4
Vaporization thermodynamics of normal alkyl phenones
Bolmatenkov, D. N., Notfullin, A. A., Yagofarov, M. I., Nagrimanov, R. N., Italmasov, A. R., & Solomonov, B. N. (2022) · Journal of Molecular Liquids · doi:10.1016/j.molliq.2022.121000 · Cited by 4
Partition kinetics of chlorobenzenes in a sediment-water system
Djohan, D., Yu, Q., & Connell, D. (2017) · Chemosphere · doi:10.1016/j.chemosphere.2017.08.060 · Cited by 4
Antibiotics in the marine environment: occurrence and impact
Castaño-Ortiz, J. M., Serra-Compte, A., Álvarez‐Muñoz, D., Barceló, ‪., & Rodríguez‐Mozaz, S. (2023) · Elsevier eBooks · doi:10.1016/b978-0-323-90297-7.00001-9 · Cited by 5
Universal bioaccumulation, biomagnification, and toxicokinetic metrics based on equivalent aqueous concentration
Kuo, D. T. F. (2025) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2025.180199 · Cited by 3
An integrated framework coupling process driven model and machine learning to simulate soil heavy metal(loid)s accumulation and predict regional risk
Yi, S., Li, X., & Chen, W. (2026) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2026.141515 · Cited by 3
Modelling enzyme inhibition toxicity of ionic liquid from molecular structure via convolutional neural network model
Zhang, R., Chen, Y., Fan, D., Liu, T., Ma, Z., Dai, Y., Wang, Y., & Zhu, Z. (2023) · SAR and QSAR in environmental research · doi:10.1080/1062936x.2023.2255517 · Cited by 3
QSAR modelling of enzyme inhibition toxicity of ionic liquid based on chaotic spotted hyena optimization algorithm
Alharthi, A. M., Al-Thanoon, N. A., Al‐Fakih, A. M., & Algamal, Z. Y. (2024) · SAR and QSAR in environmental research · doi:10.1080/1062936x.2024.2404853 · Cited by 3
Deciphering the potential of plant metabolites as insecticides against melon fly (Zeugodacus cucurbitae): Exposing control alternatives to assure food security
Chowdhury, Z. J., Banik, A., Robin, T. B., & Chowdhury, M. R. (2025) · Heliyon · doi:10.1016/j.heliyon.2025.e42034 · Cited by 3
Fate and transport of bromide and mononuclear aromatic hydrocarbons in aqueous solutions through Berea Sandstone
Labrecque, S. P., & Blanford, W. J. (2020) · The Science of The Total Environment · doi:10.1016/j.scitotenv.2020.141714 · Cited by 3
Fast estimation of sorption of organic compounds in polymeric packaging materials
Hong, B., Zhang, L., Zheng, J., Sullivan, M. B., You, X., Kriegel, R. M., & Moffitt, R. D. (2018) · Food Packaging and Shelf Life · doi:10.1016/j.fpsl.2018.02.005 · Cited by 3
Graph Theoretical Atom-Type-Based Descriptors for Structural Characterization and Retention Prediction of Acyclic Alkanes
Safa, F., & Ghadimi, M. J. (2021) · Moscow University Chemistry Bulletin · doi:10.3103/s0027131421020103 · Cited by 3
Pesticide fate in soils
Benoît, P., Mamy, L., Bedos, C., & Barriuso, E. (2022) · Elsevier eBooks · doi:10.1016/b978-0-12-822974-3.00122-1 · Cited by 3
Self-citation
Removal rate constants are not necessarily constant: the case of organic micropollutant removal in wastewater treatment plants
van Bergen, T. J. H. M., Schipper, A., Mooij, D., Ragas, A., Kuiper, M. W., Hendriks, A., Huijbregts, M., & van Zelm, R. (2024) · Environmental Science · doi:10.1039/d4ew00377b · Cited by 4
Contrasting photochemical behaviors between biogenic-sourced and combustion-sourced dissolved organic nitrogen
Zhang, Z., Cui, X., Wei, C., Zang, S., Tao, S., & Zhu, D. (2025) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2025.10.036 · Cited by 2
Insights into the dissipation and absorption behavior of Benzotriazole ultraviolet stabilizers in soil–plant systems: Experiments, molecular simulations, and machine learning
Xu, Z., Ou, Y., Zhao, H., Liu, J., Li, Z., Li, X., Zhang, X., & Wang, J. (2025) · Journal of Hazardous Materials · doi:10.1016/j.jhazmat.2025.140907 · Cited by 2
Digitized dataset of aqueous acid dissociation constants
Zheng, J. W., Lafontant-Joseph, O., & Green, W. H. (2026) · RSC Advances · doi:10.1039/d6ra02418a · Cited by 2
Integration of Chemicals Market Data with Suspect Screening Using In Silico Tools to Identify Potential New and Emerging Risk Chemicals
Menger, F., Andersson, P. L., & Weiss, J. M. (2023) · The handbook of environmental chemistry · doi:10.1007/698_2023_1056 · Cited by 2
General structure-activity relationship models for the inhibitors of Adenosine receptors: A machine learning approach
Janbozorgi, M., Kaveh, S., Neiband, M. S., & Mani‐Varnosfaderani, A. (2025) · Molecular Diversity · doi:10.1007/s11030-024-11096-0 · Cited by 2
Optimization and Selection of Mobile Phase for the Determination of Multiple Pesticide Standards Using Liquid Chromatography-Tandem Mass Spectrometry
Lawal, A., & Wong, R. C. S. (2021) · Journal of the Turkish Chemical Society Section A Chemistry · doi:10.18596/jotcsa.778786 · Cited by 2
Equilibrium of methylene blue removal onto crayfish shell biochar
Amran, F., & Zaini, M. A. A. (2025) · International Journal of Chemical Reactor Engineering · doi:10.1515/ijcre-2025-0040 · Cited by 1
Fingerprinting of dissolved constituents in groundwater at an operating refinery
Song, J., Wang, Y., Zhou, W., An, J., Duan, K., Guan, J., & Ma, J. (2025) · Environmental Science Processes & Impacts · doi:10.1039/d5em00172b · Cited by 1
In Situ -Grown Zeolitic Imidazolate Framework-8@Mg–Fe Layered Double-Hydroxide Heterostructure with Enhanced Adsorption Properties: Insights from Experimental and Computational Investigations
Roshini, N., Kumar, S., Dixit, M., & Mandal, S. (2026) · Langmuir · doi:10.1021/acs.langmuir.5c06728 · Cited by 1
Integrated Biotechnological Strategies for Planetary Health and Ecosystem Restoration
Yildirim, D. T., Yildirim, A. B., Martin, D. K., Beccari, T., Vicente, O., Radecka, I., Tchuenbou-Magaia, F. L., Marks, R. S., Lal, R., Prakash, S., et al. (2026) · The EuroBiotech Journal · doi:10.2478/ebtj-2026-0009 · Cited by 1
Multimodal Machine Learning Models on Aqueous Direct Photodisappearance Rate Constants of Chemicals Exhibit Previously Unattainable Performance
He, J., Zhang, Y., Chen, J., Jiang, Q., Liu, Y., Bi, G., & Zhang, Y. (2026) · Environmental Science & Technology · doi:10.1021/acs.est.6c05993 · Cited by 1
Unveiling spatial variability in herbicide soil sorption using Bayesian digital mapping
Kurina, F. G., Hang, S. B., Rampoldi, E. A., Paccioretti, P., & Balzarini, M. (2021) · Journal of Environmental Quality · doi:10.1002/jeq2.20254 · Cited by 1
Mobile Phase Selection by Optimization for the Determination of Multiple Pesticides Using Liquid Chromatography-Tandem Mass Spectrometry
Lawal, A., & Abdulra’uf, L. B. (2022) · IntechOpen eBooks · doi:10.5772/intechopen.99029 · Cited by 1
Accuracy of Computational Chemistry Methods to Calculate Organic Contaminant Molecular Properties
Bonnot, K., Benoît, P., Hoyau, S., Mamy, L., Patureau, D., Servien, R., Rapacioli, M., & Bessac, F. (2022) · ChemistrySelect · doi:10.1002/slct.202203586 · Cited by 1
Self-citation
Prediction models for photochemical persistence of chemicals in aquatic environments
He, J., Chen, J., Wang, J., Ge, L., Cui, F., & Chen, X. (2023) · Chinese Science Bulletin (Chinese Version) · doi:10.1360/tb-2023-0362 · Cited by 1
Occurrence and Fate of Fragrances in Wastewater Treatment Plants
Ozaki, N. (2023) · The handbook of environmental chemistry · doi:10.1007/698_2023_1011 · Cited by 1
Thermodynamic analysis of nifedipine sublimation, dissolution and solvation
Sharapova, A. V., Blokhina, S. V., & Ol’khovich, M. V. (2023) · The Journal of Chemical Thermodynamics · doi:10.1016/j.jct.2023.107139 · Cited by 1
Predictive study of the Bioconcentration of Organochlorine Compounds by a QSPR Model
Bamba, K., Ouattara, M. P., Koné, M. G.-R., Donatien, E. A., N’guessan, K. N., & Ziao, N. (2020) · SDRP Journal of Computational Chemistry & Molecular Modelling · doi:10.25177/jccmm.4.3.ra.10615
Planejamento e desenvolvimento de novos compostos com atividade frente a Leishmania spp: Síntese, avaliação da atividade e toxicidade de derivados 5-nitro-2-furfurilidênicos e estudos de relações estrutura-atividade
Braz, C. A. (2021) · doi:10.11606/t.9.2021.tde-13052022-105310
Relato de uma experiência pedagógica no ensino de Química: estudo das propriedades dos agrotóxicos utilizados em uma comunidade rural
da Silva, C. L., Chagas, J. A. O., Loiola, A. L. G., & Caldas, F. R. D. L. (2023) · Química Nova na Escola · doi:10.21577/0104-8899.20160321
Vaporization enthalpies of self-associated aromatic compounds at 298.15 K: a review of existing data and the features of heat capacity correction. Part II. Anilines
Bolmatenkov, D. N., Yagofarov, M. I., Sokolov, A. A., & Solomonov, B. N. (2023) · Thermochimica Acta · doi:10.1016/j.tca.2023.179589
Widespread misinterpretation of pKa terminology and its consequencesPreprint
Zheng, J. W., Leito, I., & Green, W. H. (2024) · ChemRxiv · doi:10.26434/chemrxiv-2024-msd0q
Widespread misinterpretation of pKa terminology and its consequencesPreprint
Zheng, J. W., Leito, I., & Green, W. H. (2024) · ChemRxiv · doi:10.26434/chemrxiv-2024-msd0q-v2
Investigation of Ionic Liquid Phases for Chromatographic Separation of Fentanyl Analogues
Smart, K. R. (2022) · doi:10.12794/metadc2048656
The Biodiversity of Agricultural Soils
Gonod, L. V., Joimel, S., & Niboyet, A. (2025) · doi:10.1002/9781394361809.ch2
In-Silico Virtual Screening of Novel Antitoxic Agents from Talinum paniculatum as Inhibitors of Phospholipase A2 and Metalloproteinase Receptor for Antivenom StudyPreprint
Bakare, O. S., Praise, S. A., Olubode, S. O., Kolawole, A., Olusanya, M. M., & Ikechukwu, C. E. (2025) · Research Square · doi:10.21203/rs.3.rs-6098491/v1
Sorbent- and sorbate-influenced sorption variability and nonlinearity: a meta-analysis on chlorpyrifos with soils, sediments, and other carbonaceous materials
Kuo, D. T. F., & Ho, S.-Y. (2026) · Water Research X · doi:10.1016/j.wroa.2026.100492
Study on antiviral drugs degradation by UV/NH2Cl: Combination of experiments and quantum chemical calculation
Yan, Z., Wu, M., Wang, H., Xu, T., Xin, S., Wang, Q., Liu, G., Yan, Q., Sun, Y., Zhou, C., et al. (2026) · Journal of environmental chemical engineering · doi:10.1016/j.jece.2026.121835
Développement d’une nouvelle méthode analytique pour le dosage des polyphénols dans les fluides biologiques et application à l’épidémiologie du cancer dans la cohorte EPIC
Achaintre, D. (2017) · theses.fr (ABES) · doi:10.70675/d6f39df7zdca1z4212zbb21zadd3789e7f83
Modeling and visualization of complex chemical data using local descriptors
Glavatskikh, M. (2018) · theses.fr (ABES) · doi:10.70675/7573e789zc11cz4c32zaaf0z5a29bf98acf5
Transfer and effects of brominated flame retardants (BFRs) on three plant species and one earthworm species in anthroposoils
Macedo, C. F. C. (2019) · theses.fr (ABES) · doi:10.70675/6321d29bz320bz4689z8114ze0fd93a600d1 · Cited by 1
Micropollutant dissipation at the sediment-water interface by coupling modelling and compound-specific isotope analysis
Drouin, G. (2020) · theses.fr (ABES) · doi:10.70675/d34d013ez792fz45e2z8817z5277e34a20fa
DIAGSOL : développement d’un nouveau marqueur fonctionnel d’exposition aux herbicides β-tricétones dans un sol agricole
Thiour‐Mauprivez, C. (2020) · doi:10.70675/405985f8ze612z4816z9b90z10da0c2432b5
Impacts de l’orpaillage et de l’agriculture sur la qualité des eaux du Liptako nigérien : identification des hots spots des pollutions métalliques et organiques, transferts de connaissances entre recherche et terrain
Illatou, O. E. F. M. (2021) · theses.fr (ABES) · doi:10.70675/21a75cfcz7e6fz430bz8347z8a06bf7ed5e4
Approche in silico pour analyser et prédire la transformation des contaminants organiques émergents dans l'environnement
Bonnot, K. (2021) · doi:10.70675/cb040a57z6bd5z45b9zacfezda765a8ef878
Nouveaux analogues aminostéroïdiens de la squalamine en thérapeutique humaine
Négrel, S. (2021) · theses.fr (ABES) · doi:10.70675/200a0f11zd30cz41bczba28zf46d6486e43a
Bio-based surfactants from renewable feedstocks: Synthesis and interfacial properties in aqueous systems
Ashokkumar, V., & Kim, S.-C. (2026) · Colloids and Surfaces A Physicochemical and Engineering Aspects · doi:10.1016/j.colsurfa.2026.140485
Unveiling the structural determinants of PFASs acute inhalation toxicity: an integrated approach using QSAR, q-RASAR, and interspecies extrapolation
Qiu, M., Yang, J., Pang, Y., Wen, Y., Yang, L., Li, G., Yang, Q., & Liu, L. (2026) · Archives of Toxicology · doi:10.1007/s00204-026-04373-4
Chlorinated Paraffins in Agroecosystems: A Silent Contaminant Threatening Soil Health and Crop Safety
Ohoro, C. R., Eddy, N. O., Conradie, J., Aralu, C. C., & Akpomie, K. G. (2026) · Chemistry Africa · doi:10.1007/s42250-026-01676-y
The prediction of hydrolysis and biodegradation of organophosphorus-based chemical warfare agents (Novichoks, G-series, and V-series) using in silico toxicology methods
Jurowski, K., & Noga, M. (2026) · Elsevier eBooks · doi:10.1016/b978-0-443-36474-7.00029-6
Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling
Chi, Y., Zu, G., Ma, H., Tao, L., Ji, Y., Zhao, X., Wang, H. Y., Huang, N., Zhao, C., & Yang, L. (2026) · Molecular Diversity · doi:10.1007/s11030-026-11622-2
Curated digital datasets of acid dissociation constants in dipolar aprotic solvents
Zheng, J. W., Leito, I., Tshepelevitsh, S., & Green, W. H. (2026) · RSC Advances · doi:10.1039/d6ra03288e
Extraction of Sophora japonica L. leaf extract and its application for corrosion inhibition of X52 steel in hydrochloric acid
Guo, Y., Huang, H., & Huang, G. (2026) · Chemical and Biological Technologies in Agriculture · doi:10.1186/s40538-026-01017-8
Interactions of Nanopesticides with Environmental Surfaces: A Colloidal Mechanics Perspective across Carrier Classes
Sen, S., Xenophontos, X., Vlachou, A., Cisneros‐Zevallos, L., Tamamis, P., & Akbulut, M. E. S. (2026) · Environmental Surfaces and Interfaces · doi:10.1016/j.esi.2026.08.005
France’s Pesticide Load Index: Decreasing Ecotoxicity, Persistent Human Toxicity, Rising Concern For Environmental Fate
Perrot, T., Fontaine, C., & Möhring, N. (2026) · Peer Community Journal · doi:10.24072/pcjournal.817
Machine learning deciphers the molecular origin of viscosity in bipyridinium salt electrolytes for aqueous organic redox flow batteries
Wang, K., Huang, M., Cui, Z., Wan, K., Fu, Z., Xiang, Z., Chen, X., & Liang, Z. (2026) · Chemical Engineering Science · doi:10.1016/j.ces.2026.125385
Advancing understanding of the interactions between pharmaceuticals, microbial contaminants, and microbial communities: perspectives for European environmental risk assessment
Pesce, S., Topp, E., Benoît, P., Corcoll, N., Cournoyer, B., Creusot, N., Ferrari, B. J. D., Ferrari, F., Galia, W., Guasch, H., et al. (2026) · Journal of Hazardous Materials Advances · doi:10.1016/j.hazadv.2026.101694
Self-citation

Authors: Mamy, L., Patureau, D., Barriuso, E., Bedos, C., Bessac, F., Louchart, X., Martin-laurent, F., Miege, C., & Benoit, P.
Affiliations: AgroParisTech (FR)
Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement (FR)
Centre National de la Recherche Scientifique (FR)
Université de Bourgogne (FR)
Corresponding author: Mamy, Laure
ORCID: Mamy, Laure
Bedos, Carole
Bessac, Fabienne
Martin-laurent, Fabrice
Venue: Critical Reviews in Environmental Science and Technology
Publisher: Informa UK Limited
Published: 2014-09-09
Volume: 45
Issue: 12
Pages: 1277-1377
ISSN: 1064-3389 (ISSN-L)
1547-6537
DOI: 10.1080/10643389.2014.955627
PMC: PMC4376206
OpenAlex: W2117380901
Cited by: 177
References: 387
Citations by year: 2026: 19 · 2025: 23 · 2024: 21 · 2023: 17 · 2022: 17 · 2021: 17 · 2020: 23 · 2019: 10 · 2018: 10 · 2017: 11 · 2016: 8 · 2015: 1
FWCI: 5.07
Type: journal article
Language: en
Open access: bronze
doi.org
Locations: Critical Reviews in Environmental Science and Technology (publishedVersion)
Europe PMC (PubMed Central) (publishedVersion)
PubMed Central (publishedVersion)
PubMed (publishedVersion)
Figshare (submittedVersion, cc-by)
HAL (submittedVersion, other-oa)
Cemadoc (Cemagref / IRSTEA) (submittedVersion)
Figshare (cc-by)
Topics: Physical Sciences › Environmental Science › Environmental Chemistry › Environmental Chemistry and Analysis
Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
Physical Sciences › Environmental Science › Pollution › Pesticide and Herbicide Environmental Studies
Keywords: organic compounds, environmental fate prediction, QSAR, molecular descriptors, octanol-water partition coefficient, soil sorption, biodegradation, desorption, molecular weight, quantum chemical descriptors, topological indices

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review

Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

Abstract

Overview

Integrity signals

Verification

Claims the paper makes

Self-check

Citations

Cites

Cited by

Related

Metadata

Record

About these checks