SAR and QSAR in Environmental Research is an international journal welcoming papers on the fundamental and practical aspects of the structure-activity and structure-property relationships in the fields of environmental science, agrochemistry, toxicology, pharmacology and applied chemistry. A unique aspect of the journal is the focus on emerging techniques for the building of SAR and QSAR models in these widely varying fields. The scope of the journal includes, but is not limited to, the topics of topological and physicochemical descriptors, mathematical, statistical and graphical methods for data analysis, computer methods and programs, original applications and comparative studies. In addition to primary scientific papers, the journal contains reviews of books and software and news of conferences. Special issues on topics of current and widespread interest to the SAR and QSAR community will be published from time to time.
环境研究中的SAR和QSAR是一本国际期刊，欢迎在环境科学、农业化学、毒理学、药理学和应用化学领域中关于结构-活性和结构-性质关系的基础和实践方面的论文。该杂志的一个独特方面是关注在这些广泛变化的领域中建立SAR和QSAR模型的新兴技术。该杂志的范围包括但不限于拓扑学和物理化学描述符、数据分析的数学、统计和图形方法、计算机方法和程序、原始应用和比较研究等主题。除了主要的科学论文，该杂志还包括书籍和软件的评论以及会议新闻。有关特区和QSAR社区当前和广泛关注的主题的特刊将不定期出版。
Design and development of novel focal adhesion kinase (FAK) inhibitors using Monte Carlo method with index of ideality of correlation to validate QSAR
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2018.1564067
In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1629998
Development of classification models for predicting chronic toxicity of chemicals to Daphnia magna and Pseudokirchneriella subcapitata
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2018.1545694
Ecotoxicological QSAR modelling of organic chemicals against Pseudokirchneriella subcapitata using consensus predictions approach
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1648315
Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1615547
Prediction of apoptosis protein subcellular localization via heterogeneous features and hierarchical extreme learning machine
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1576222
Molecular modelling studies on adamantane-based Ebola virus GP-1 inhibitors using docking, pharmacophore and 3D-QSAR
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1573377
Insight into structural features of phenyltetrazole derivatives as ABCG2 inhibitors for the treatment of multidrug resistance in cancer
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1615545
Could deep learning in neural networks improve the QSAR models?
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1650827
Prediction of the binding affinity of aptamers against the influenza virus
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2018.1558416
QSPR models for bioconcentration factor (BCF): are they able to predict data of industrial interest?
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1626278
Application of Interspecies Correlation Estimation (ICE) models and QSAR in estimating species sensitivity to pesticides
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1686716
Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1672089
An ensemble method for multi-type Gram-negative bacterial secreted protein prediction by integrating different PSSM-based features
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1573438
Modelling of ready biodegradability based on combined public and industrial data sources
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1697360
Conformal prediction of HDAC inhibitors
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1591503
Filter feature selectors in the development of binary QSAR models
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1588160
A simple approach for assessment of toxicity of nitroaromatic compounds without using complex descriptors and computer codes
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1595135
Modelling peak exposure of pesticides in terrestrial and aquatic ecosystems: importance of dissolved organic carbon and vertical particle movement in soil
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1686715
Could we expect new praziquantel derivatives? A meta pharmacometrics/pharmacoinformatics analysis of all antischistosomal praziquantel derivatives found in the literature
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1607898
Molecular mechanism of inhibitor bindings to bromodomain-containing protein 9 explored based on molecular dynamics simulations and calculations of binding free energies
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1701075
Development and rigorous validation of antimalarial predictive models using machine learning approaches
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1635526
A QSAR model for predicting antidiabetic activity of dipeptidyl peptidase-IV inhibitors by enhanced binary gravitational search algorithm
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1607899
Design of new CD38 inhibitors based on CoMFA modelling and molecular docking analysis of 4‑amino-8-quinoline carboxamides and 2,4-diamino-8-quinazoline carboxamides
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2018.1545695
iDHS-DMCAC: identifying DNase I hypersensitive sites with balanced dinucleotide-based detrending moving-average cross-correlation coefficient
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1615546
QSPR studies on water solubility, octanol-water partition coefficient and vapour pressure of pesticides
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1699602
Quantum-mechanical LSERs for the concentration-dependent adsorption of aromatic organic compounds by activated carbon: Applications and comparison with carbon nanotubes
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1566173
In silico study directed towards identification of the key structural features of GyrB inhibitors targeting MTB DNA gyrase: HQSAR, CoMSIA and molecular dynamics simulations
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1658218
QSAR and molecular docking studies of lethal factor protease inhibitors against Bacillus anthracis
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1658219
A robust model for estimating thermal conductivity of liquid alkyl halides
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1695225
Externally predictive quantum-mechanical models for the adsorption of aromatic organic compounds by graphene-oxide nanomaterials
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1666164
Supercomputer docking with a large number of degrees of freedom
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1659412
Drug-drug interaction prediction using PASS
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1653966
Consensus QSPR modelling for the prediction of cellular response and fibrinogen adsorption to the surface of polymeric biomaterials
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1607549
PASS-based prediction of metabolites detection in biological systems
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1665099
Peramivir binding affinity with influenza A neuraminidase and research on its mutations using an induced-fit docking approach
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1679248
QSPR modelling of the soil sorption coefficient from training sets of different sizes
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1586759
13C NMR chemical shift prediction of diverse chemical compounds
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1619621
Structure based designing of benzimidazole/benzoxazole derivatives as anti-leishmanial agents
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1684357
Toxicity profiling and prioritization of plant-derived antimalarial agents
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1665844
Rivality index neighbourhood algorithm with density and distances weighted schemes for the building of robust QSAR classification models with high reliable applicability domain
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1644666
Development of QSAAR and QAAR models for predicting fish early-life stage toxicity with a focus on industrial chemicals
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1669707
Fraction Lipophilicity Index (FLI). A drug-like metric for orally administered ionizable drugs
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1653363
Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1665580
In silico evaluation of pesticides as potential modulators of human DNA methyltransferases
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1666165
Short peptide with an inhibitory activity on the NMDA/Gly-induced currents
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1653965
Structural and molecular modelling studies of antimelanogenic piper-amide TRPM1 antagonists
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1574894
Molecular docking, design, synthesis and biological evaluation of novel 2,3-aryl-thiazolidin-4-ones as potent NNRTIs
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1653364
In silico prediction of dermal absorption of pesticides – an evaluation of selected models against results from in vitro testing
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1644533
Development of a read-across workflow for skin irritation and corrosion predictions
来源期刊：SAR and QSAR in Environmental ResearchDOI：10.1080/1062936X.2019.1595136
