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Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6.

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Title: Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6.
Authors: Vignaux PA; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina., Harris JS; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina., Urbina F; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina., Ekins S; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina. Electronic address: sean@collaborationspharma.com.
Source: Drug metabolism and disposition: the biological fate of chemicals [Drug Metab Dispos] 2025 Oct; Vol. 53 (10), pp. 100160. Date of Electronic Publication: 2025 Sep 09.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 9421550 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-009X (Electronic) Linking ISSN: 00909556 NLM ISO Abbreviation: Drug Metab Dispos Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6.
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  Data: <searchLink fieldCode="AU" term="%22Vignaux+PA%22">Vignaux PA</searchLink>; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina.<br /><searchLink fieldCode="AU" term="%22Harris+JS%22">Harris JS</searchLink>; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina.<br /><searchLink fieldCode="AU" term="%22Urbina+F%22">Urbina F</searchLink>; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina.<br /><searchLink fieldCode="AU" term="%22Ekins+S%22">Ekins S</searchLink>; Collaborations Pharmaceuticals, Inc, Raleigh, North Carolina. Electronic address: sean@collaborationspharma.com.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier%22">Elsevier </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9421550 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1521-009X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200909556%22">00909556 </searchLink><i>NLM ISO Abbreviation: </i>Drug Metab Dispos <i>Subsets: </i>MEDLINE
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        Value: 10.1016/j.dmd.2025.100160
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      – Code: eng
        Text: English
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      – TitleFull: Applicability domain-expansion studies for machine learning models reveal new inhibitors of CYP2B6.
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            NameFull: Harris JS
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            – D: 01
              M: 10
              Text: 2025 Oct
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              Y: 2025
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