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A QSAR for Baseline Toxicity: Validation, Domain of Application, and Prediction
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QSAR Studies of Compounds Acting by Polar and Non-polar Narcosis: an Examination of the Role of Polarisability and Hydrogen Bonding
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Handbook of Molecular Descriptors
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The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
inferredcites →https://doi.org/10.1007/bf02986285openalex-snapshot
Polar narcosis: Designing a suitable training set for QSAR studies
inferredcites →https://doi.org/10.1021/ci034183vopenalex-snapshot
Boiling Points of Halogenated Aliphatic Compounds: A Quantitative Structure−Property Relationship for Prediction and Validation
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Chem-Bioinformatics: Comparative QSAR at the Interface between Chemistry and Biology
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Some Physical Mechanisms in Narcosis.
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Solubility properties in polymers and biological media. 8. An analysis of the factors that influence toxicities of organic nonelectrolytes to the golden orfe fish (Leuciscus idus melanotus)
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Handbook of Environmental Data on Organic Chemicals
inferredcites →https://doi.org/10.1139/f83-096openalex-snapshot
Structure–Toxicity Relationships for the Fathead Minnow, Pimephales promelas: Narcotic Industrial Chemicals
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Anesthetics and Ion Channels: Molecular Models and Sites of Action
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A User-Friendly Guide to Multivariate Calibration and Classification
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Variable Selection in near Infrared Spectroscopy Based on Significance Testing in Partial Least Squares Regression
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Organisation for Economic Co-operation and Development
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Chemometrics and its Roots in Physical Organic Chemistry.
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1002/smll.200900179openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-031-81728-1_11openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-27282-5_58openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.scitotenv.2008.02.061openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.toxlet.2009.02.003openalex-snapshot
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inferred← citeshttps://doi.org/10.1073/pnas.1314991111openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629360601054289openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/1062936x.2010.502300openalex-snapshot
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