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Deep generative models for 3D structure-based drug design and molecular optimisation: a comprehensive survey.

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Title: Deep generative models for 3D structure-based drug design and molecular optimisation: a comprehensive survey.
Authors: Zhang Y; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China., Fu Y; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China., Wang G; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China. wangguishen@ccut.edu.cn.
Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2026 Jul 16; Vol. 40 (1). Date of Electronic Publication: 2026 Jul 16.
Publication Type: Journal Article; Review
Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Zhang+Y%22">Zhang Y</searchLink>; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China.<br /><searchLink fieldCode="AU" term="%22Fu+Y%22">Fu Y</searchLink>; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China.<br /><searchLink fieldCode="AU" term="%22Wang+G%22">Wang G</searchLink>; Collegeof Computer Science and Engineering, Changchun University of Technology, 130000, Changchun, China. wangguishen@ccut.edu.cn.
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  Data: <searchLink fieldCode="JN" term="%228710425%22">Journal of computer-aided molecular design</searchLink> [J Comput Aided Mol Des] 2026 Jul 16; Vol. 40 (1). <i>Date of Electronic Publication: </i>2026 Jul 16.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>8710425 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-4951 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220920654X%22">0920654X </searchLink><i>NLM ISO Abbreviation: </i>J Comput Aided Mol Des <i>Subsets: </i>MEDLINE
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        Value: 10.1007/s10822-026-00887-2
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      – Code: eng
        Text: English
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      – TitleFull: Deep generative models for 3D structure-based drug design and molecular optimisation: a comprehensive survey.
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            NameFull: Zhang Y
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            NameFull: Fu Y
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              Text: 2026 Jul 16
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              Y: 2026
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              Value: 40
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