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Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure−Property Relationship
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inferred← citeshttps://doi.org/10.1002/(sici)1099-1395(199910)12:10<769::aid-poc197>3.0.co;2-gopenalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527613083.ch3openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9783527613168.ch5openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cem.3349openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.200330822openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.200330840openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/qsar.200430862openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-4419-0197-2_1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-044452707-3/50004-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemolab.2004.03.002openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jct.2011.12.015openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s0958-1669(99)00062-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.3c01536openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci010323uopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci025530oopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cm980674xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/cr900238dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ie970910yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jm020266bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/js960358mopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/js9901007openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/tx980273wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1008703513479openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/a:1012284411691openalex-snapshot
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inferred← citeshttps://doi.org/10.1023/b:jcam.0000030031.81235.05openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/nrd941openalex-snapshot
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inferred← citeshttps://doi.org/10.1039/a607291gopenalex-snapshot
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inferred← citeshttps://doi.org/10.1063/1.1579474openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629360008039118openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10629369708039124openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10643389.2014.955627openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/j.1747-0285.2009.00844.xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1201/9781420032765openalex-snapshot
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inferred← citeshttps://doi.org/10.1208/s12249-010-9499-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1289/ehp.98106s1253openalex-snapshot
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inferred← citeshttps://doi.org/10.1517/17425255.1.4.613openalex-snapshot
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inferred← citeshttps://doi.org/10.1517/17460441.1.1.31openalex-snapshot
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inferred← citeshttps://doi.org/10.18433/j3pp4kopenalex-snapshot
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inferred← citeshttps://doi.org/10.2165/00003088-200241110-00005openalex-snapshot
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inferred← citeshttps://doi.org/10.4018/978-1-4666-8136-1.ch010openalex-snapshot
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