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Analyzing Learned Molecular Representations for Property Prediction Open

Kevin Yang, Kyle L. Swanson, Wengong Jin, Connor W. Coley, Philipp Eiden , et al. · 2019

Computer science Engineering Chemistry

Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular fingerp…

CCDC 1872660: Experimental Crystal Structure Determination Open

Mario Schleep, Stefanie Reininger, Philipp Eiden, Petra Klose, Christof Schulz , et al. · 2018

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 925996: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2017

Art Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 1586872: Experimental Crystal Structure Determination Open

Philipp Eiden, Qunxian Liu, Sherif Zein El Abedin, Frank Endres, Ingo Krossing · 2017

Art Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920949: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920928: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 912929: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920956: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Art Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920993: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 912925: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 912926: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Art Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920952: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920954: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920997: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920978: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920917: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Geography Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920959: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920936: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920942: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920931: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920995: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Art Geography

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920983: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920992: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920984: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920922: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920926: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 921002: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920919: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

CCDC 920935: Experimental Crystal Structure Determination Open

Witali Beichel, Ulrich P. Preiss, Boumahdi Benkmil, Gunther Steinfeld, Philipp Eiden , et al. · 2016

Materials science Chemistry

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

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