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A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.

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Title: A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.
Authors: Alberga D; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy., Nanna V; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy., Papadopoulos MGE; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy., Ancona A; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena 53100, Italy., Lomuscio MC; Dipartimento di Medicina di Precisione e Rigenerativa e Area Jonica (DiMePRe-J), Università Degli Studi di Bari Aldo Moro, Piazza Giulio Cesare, 11, Policlinico, Bari 70124, Italy., Mangiatordi GF; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2026 Apr 27; Vol. 66 (8), pp. 4576-4591. Date of Electronic Publication: 2026 Apr 16.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.
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  Data: <searchLink fieldCode="AU" term="%22Alberga+D%22">Alberga D</searchLink>; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.<br /><searchLink fieldCode="AU" term="%22Nanna+V%22">Nanna V</searchLink>; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.<br /><searchLink fieldCode="AU" term="%22Papadopoulos+MGE%22">Papadopoulos MGE</searchLink>; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.<br /><searchLink fieldCode="AU" term="%22Ancona+A%22">Ancona A</searchLink>; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena 53100, Italy.<br /><searchLink fieldCode="AU" term="%22Lomuscio+MC%22">Lomuscio MC</searchLink>; Dipartimento di Medicina di Precisione e Rigenerativa e Area Jonica (DiMePRe-J), Università Degli Studi di Bari Aldo Moro, Piazza Giulio Cesare, 11, Policlinico, Bari 70124, Italy.<br /><searchLink fieldCode="AU" term="%22Mangiatordi+GF%22">Mangiatordi GF</searchLink>; CNR - Institute of Crystallography, Via Amendola 122/o, Bari 70126, Italy.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2026 Apr 27; Vol. 66 (8), pp. 4576-4591. <i>Date of Electronic Publication: </i>2026 Apr 16.
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        Value: 10.1021/acs.jcim.6c00397
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      – Code: eng
        Text: English
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      – TitleFull: A Reinforcement Learning-Guided Genetic Algorithm Integrating Medicinal Chemistry-Inspired Molecular Transformations.
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              Text: 2026 Apr 27
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