Predicting DNA Reactions with a Quantum Chemistry‐Based Deep Learning Model
Abstract: In this study, a deep learning model based on quantum chemistry is introduced to enhance the accuracy and efficiency of predicting DNA reaction parameters. By integrating quantum chemical calculations with self‐designed descriptor matrices, the model offers a comprehensive description of energy variations and considers a broad range of relevant factors. To overcome the challenge of limited labeled data, an active learning method is employed. The results demonstrate that this model outperforms existing methods in predicting DNA hybridization free energies and strand displacement rate constants, thus advancing the understanding of DNA molecular interactions, and aiding in the precise design and optimization of DNA‐based systems.
- Standort
-
Deutsche Nationalbibliothek Frankfurt am Main
- Umfang
-
Online-Ressource
- Sprache
-
Englisch
- Erschienen in
-
Predicting DNA Reactions with a Quantum Chemistry‐Based Deep Learning Model ; day:19 ; month:09 ; year:2024 ; extent:9
Advanced science ; (19.09.2024) (gesamt 9)
- Urheber
-
Wang, Likun
Li, Na
Cao, Mengyao
Zhu, Yun
Xiong, Xiewei
Li, Li
Zhu, Tong
Pei, Hao
- DOI
-
10.1002/advs.202409880
- URN
-
urn:nbn:de:101:1-2409191429562.289744914959
- Rechteinformation
-
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
15.08.2025, 07:35 MESZ
Datenpartner
Dieses Objekt wird bereitgestellt von:
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Beteiligte
- Wang, Likun
- Li, Na
- Cao, Mengyao
- Zhu, Yun
- Xiong, Xiewei
- Li, Li
- Zhu, Tong
- Pei, Hao
Ähnliche Objekte (12)
The reactions of NO3 with olefins and the atmospheric chemistry of their products
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage (ICH)
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Structural analysis of cylindrical particles by small angle X-ray scattering
Local Government Borrowing’s Expansionary Monetary Effect and Its Policy Synergy
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage
Promoting biogas and biomethane production: Lessons from cross country studies
Second and Foreign Language Vocabulary Learning through Digital Reading: A Meta-Analysis
Multiphase Reaction of SO 2 with NO 2 on CaCO 3 Particles. 2. NO 2 -initialized Oxidation of SO 2 by O 2
Air stagnation in China (1985–2014): climatological mean features and trends
NO 2 -initiated multiphase oxidation of SO 2 by O 2 on CaCO 3 particles
The reactions of NO3 with olefins and the atmospheric chemistry of their products
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage (ICH)
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Structural analysis of cylindrical particles by small angle X-ray scattering
Local Government Borrowing’s Expansionary Monetary Effect and Its Policy Synergy
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage
Promoting biogas and biomethane production: Lessons from cross country studies
Second and Foreign Language Vocabulary Learning through Digital Reading: A Meta-Analysis
Multiphase Reaction of SO 2 with NO 2 on CaCO 3 Particles. 2. NO 2 -initialized Oxidation of SO 2 by O 2
Air stagnation in China (1985–2014): climatological mean features and trends
NO 2 -initiated multiphase oxidation of SO 2 by O 2 on CaCO 3 particles
The reactions of NO3 with olefins and the atmospheric chemistry of their products
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage (ICH)
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Entwicklung einer auf subtraktiver Hybridisierung basierenden Nachweismethode zur Identifizierung differentieller Genexpression in Eukaryonten
Structural analysis of cylindrical particles by small angle X-ray scattering
Local Government Borrowing’s Expansionary Monetary Effect and Its Policy Synergy
Neuroradiological findings and molecular markers as predictors for secondary brain injury and outcome after intracerebral hemorrhage
Promoting biogas and biomethane production: Lessons from cross country studies
Second and Foreign Language Vocabulary Learning through Digital Reading: A Meta-Analysis
Multiphase Reaction of SO 2 with NO 2 on CaCO 3 Particles. 2. NO 2 -initialized Oxidation of SO 2 by O 2
Air stagnation in China (1985–2014): climatological mean features and trends