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D

Daniel Merkle

university of southern denmark

24H指数
201论文数
3.0K被引数
收录论文 23
发表时间
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ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use modelsProQSAR：一种用于小数据集QSAR建模的模块化且可复现的框架，结合拟合和使用模型
errJournal of Cheminformatics
IF5.7
err2026-04-22
err0
errOAAI
errTuyet-Minh Phan; Tieu-Long Phan; Phuoc-Chung Van-Nguyen; Lai Hoang Son Le; Van-Thinh To; Tuyen Ngoc Truong; Daniel Merkle; Peter F. Stadler
err分享
err收藏
Finding Pathways in Reaction Networks Guided by Energy Barriers Using Integer Linear Programing利用整数线性规划寻找受能量势垒引导的反应网络中的路径
errMolecular Informatics
IF3.1
err2026-03-01
err0
PREAI
errPal, Adittya; Fagerberg, Rolf; Andersen, Jakob Lykke; Dittrich, Peter; Merkle, Daniel
err分享
err收藏
A Sensitivity Analysis Methodology for Rule-Based Stochastic Chemical Systems基于规则的随机化学系统灵敏度分析方法学
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-01
err0
PREAI
errMachado, Erika M. Herrera; Andersen, Jakob L.; Fagerberg, Rolf; Merkle, Daniel
err分享
err收藏
SynCat: molecule-level attention graph neural network for precise reaction classificationSynCat: 分子级注意力图神经网络用于精确反应分类
errDigital Discovery
IF5.6
err2025-12-10
err0
errOAAI
errPhuoc-Chung Van Nguyen; Van-Thinh To; Ngoc-Vi Nguyen Tran; Tieu-Long Phan; Tuyen Ngoc Truong; Thomas Gärtner; Daniel Merkle; Peter F. Stadler
err分享
err收藏
SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-01
err0
PREAI
errPhan, Tieu-Long; Laffitte, Marcos E. Gonzalez; Weinbauer, Klaus; Merkle, Daniel; Andersen, Jakob Lykke; Fagerberg, Rolf; Gatter, Thomas; Stadler, Peter F.
err分享
err收藏
Assembly in Directed Hypergraphs有向超图的组装
errPROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3
err2025-10-15
err0
PREAI
errFlamm, Christoph; Merkle, Daniel; Stadler, Peter F.
err分享
err收藏
Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming利用超图中的流和混合整数线性规划在化学反应网络中寻找热力学有利的路径
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-10
err0
PREAI
errAdittya Pal; Rolf Fagerberg; Jakob Lykke Andersen; Christoph Flamm; Peter Dittrich; Daniel Merkle
err分享
err收藏
SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-28
err0
errOAAI
errPhan, Tieu-Long; Weinbauer, Klaus; Laffitte, Marcos E. Gonzalez; Pan, Yingjie; Merkle, Daniel; Andersen, Jakob L.; Fagerberg, Rolf; Flamm, Christoph; Stadler, Peter F.
err分享
err收藏
ChemReservoir—An Open-Source Framework for Chemically-Inspired Reservoir ComputingChemReservoir——一个基于化学启发的开放式框架用于计算水库
errIEEE Access
IF3.6
err2025-01-01
err0
errOAAI
errMehmet Aziz Yirik; Jakob Lykke Andersen; Rolf Fagerberg; Daniel Merkle
err分享
err收藏
Reaction rebalancing: a novel approach to curating reaction databases
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2024-07-19
err2
errOAAI
errPhan, Tieu-Long; Weinbauer, Klaus; Gaertner, Thomas; Merkle, Daniel; Andersen, Jakob L.; Fagerberg, Rolf; Stadler, Peter F.
err分享
err收藏
Representing Catalytic Mechanisms with Rule Composition
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-11-03
err2
errOAAI
errAnderson, Jakob L.; Fagerberg, Rolf; Flamm, Christoph; Fontana, Walter; Kolcak, Juri; Laurent, Christophe V. F. P.; Merkle, Daniel; Nojgaard, Nikolai
err分享
err收藏
Generic Context-Aware Group Contributions通用上下文感知组贡献
errIEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS
IF3.4
err2022-01-01
err2
errOAAI
errFlamm, Christoph; Hellmuth, Marc; Merkle, Daniel; Nojgaard, Nikolai; Stadler, Peter F.
err分享
err收藏
Chemical Transformation Motifs-Modelling Pathways as Integer Hyperflows
errIEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS
IF3.4
err2019-03-01
err33
errOAAI
errAndersen, Jakob L.; Flamm, Christoph; Merkle, Daniel; Stadler, Peter F.
err分享
err收藏
Finding the K best synthesis plans
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2018-04-05
err8
errOAAI
errFagerberg, Rolf; Flamm, Christoph; Kianian, Rojin; Merkle, Daniel; Stadler, Peter F.
err分享
err收藏
An intermediate level of abstraction for computational systems chemistry
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2017-11-13
err17
errOAAI
errAndersen, Jakob L.; Flamm, Christoph; Merkle, Daniel; Stadler, Peter F.
err分享
err收藏
Swarm Intelligence and Signal Processing
errIEEE SIGNAL PROCESSING MAGAZINE
IF9.6
err2008-11-01
err20
PREAI
errMerkle, Daniel; Middendorf, Martin
err分享
err收藏
Solving the preserving reversal median problem
errIEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS
IF3.4
err2008-07-01
err6
PREAI
errBernt, Matthias; Merkle, Daniel; Middendorf, Martin
err分享
err收藏
Evolution of mitochondrial gene orders in echinoderms
errMOLECULAR PHYLOGENETICS AND EVOLUTION
IF3.6
err2008-05-01
err76
PREAI
errPerseke, Marleen; Fritzsch, Guido; Ramsch, Kai; Bernt, Matthias; Merkle, Daniel; Middendorf, Martin; Bernhard, Detlef; Stadler, Peter F.; Schlegel, Martin
err分享
err收藏
How too little can give you a little too much - Determining the number of household phone lines in RDD surveys
errPUBLIC OPINION QUARTERLY
IF2.7
err2008-01-21
err6
PREAI
errMerkle, Daniel; Langer, Gary
err分享
err收藏
Molecular docking with multi-objective particle swarm optimization
errAPPLIED SOFT COMPUTING
IF6.6
err2008-01-01
err87
PREAI
errJanson, Stefan; Merkle, Daniel; Middendorf, Martin
err分享
err收藏

研究方向

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合作期刊
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Peter F. Stadler
H 指数: 119 · 论文数: 1.3K
W
Walter Fontana
H 指数: 48 · 论文数: 124
M
Martin Middendorf
H 指数: 46 · 论文数: 300
H
Hartmut Schmeck
H 指数: 37 · 论文数: 1.1K
M
Martin Schlegel
H 指数: 33 · 论文数: 124
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