ArticleCritical reviews in environmental science and technology2015
Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.
Article in Critical reviews in environmental science and technology, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Curated digital datasets of acid dissociation constants in dipolar aprotic solvents.RSC advances · 2026Article
- Unveiling the structural determinants of PFASs acute inhalation toxicity: an integrated approach using QSAR, q-RASAR, and interspecies extrapolation.Archives of toxicology · 2026Article
- Rational design of low-risk and high-efficiency β-triketone herbicide alternatives via integrative computational toxicology and NGBoost modeling.Molecular diversity · 2026Article
- Digitized dataset of aqueous acid dissociation constants.RSC advances · 2026Article
- Peroxymonosulfate activation by a nitrogen-doped multilayer graphene catalyst derived from cotton for enhanced flurbiprofen degradation.RSC advances · 2026Article
- Genomic analysis of Acinetobacter baumannii DUEMBL6 reveals diesel bioremediation potential and biosafety concerns.PloS one · 2026Article
- Biotransformation of Antibiotics byAntibiotics (Basel, Switzerland) · 2025Article
- General structure-activity relationship models for the inhibitors of Adenosine receptors: A machine learning approach.Molecular diversity · 2025Article
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- pKJournal of computational chemistry · 2025Article
- Advancing Maternal Transfer of Organic Pollutants across Reptiles for Conservation and Risk Assessment Purposes.Environmental science & technology · 2024Article
- ZnMnHeliyon · 2023Article
- Scientific concepts and methods for moving persistence assessments into the 21st century.Integrated environmental assessment and management · 2022Review
- Moving persistence assessments into the 21st century: A role for weight-of-evidence and overall persistence.Integrated environmental assessment and management · 2022Review
- Block-wise Exploration of Molecular Descriptors with Multi-block Orthogonal Component Analysis (MOCA).Molecular informatics · 2022Article
- Interrogating Plant-Microbe Interactions with Chemical Tools: Click Chemistry Reagents for Metabolic Labeling and Activity-Based Probes.Molecules (Basel, Switzerland) · 2021Review
- A regression-based model to predict chemical migration from packaging to food.Journal of exposure science & environmental epidemiology · 2020Article
- Article
- Empirical Conversion of pACS omega · 2018Article
- Quantitative Structure-Activity Relationship Model for HCVNS5B inhibitors based on an Antlion Optimizer-Adaptive Neuro-Fuzzy Inference System.Scientific reports · 2018Article
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A comprehensive review of quantitative structure-activity relationships (QSAR) allowing the prediction of the fate of organic compounds in the environment from their molecular properties was done. The considered processes were water dissolution, dissociation, volatilization, retention on soils and sediments (mainly adsorption and desorption), degradation (biotic and abiotic), and absorption by plants. A total of 790 equations involving 686 structural molecular descriptors are reported to estimate 90 environmental parameters related to these processes. A significant number of equations was found for dissociation process (pK
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