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Active learning enables generation of molecules that advance the known Pareto front.

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Title: Active learning enables generation of molecules that advance the known Pareto front.
Authors: Antoniuk, Evan R.1, antoniuk1@llnl.gov, Li, Peggy1, Keilbart, Nathan1, Weitzner, Stephen1, Kailkhura, Bhavya1, Hiszpanski, Anna M.1, hiszpanski2@llnl.gov
Source: NPJ Computational Materials; 2/10/2026, Vol. 12 Issue 1, p1-11, 11p
Database: Applied Science & Technology Source
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PubType: Academic Journal
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  Data: Active learning enables generation of molecules that advance the known Pareto front.
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  Data: <searchLink fieldCode="AU" term="%22Antoniuk%2C+Evan+R%2E%22">Antoniuk, Evan R.</searchLink><relatesTo>1</relatesTo>, <i>antoniuk1@llnl.gov</i><br /><searchLink fieldCode="AU" term="%22Li%2C+Peggy%22">Li, Peggy</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Keilbart%2C+Nathan%22">Keilbart, Nathan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Weitzner%2C+Stephen%22">Weitzner, Stephen</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Kailkhura%2C+Bhavya%22">Kailkhura, Bhavya</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Hiszpanski%2C+Anna+M%2E%22">Hiszpanski, Anna M.</searchLink><relatesTo>1</relatesTo>, <i>hiszpanski2@llnl.gov</i>
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  Data: <searchLink fieldCode="JN" term="%22NPJ+Computational+Materials%22">NPJ Computational Materials</searchLink>; 2/10/2026, Vol. 12 Issue 1, p1-11, 11p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=191500704
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        Value: 10.1038/s41524-025-01924-8
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        Text: English
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      – TitleFull: Active learning enables generation of molecules that advance the known Pareto front.
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              Text: 2/10/2026
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              Y: 2026
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