region properties function in Search Results


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etabs link element with plastic1 properties  (PlasticsOne inc)
90
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activex® properties and methods  (ActivX Inc)
90
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collective property for agricultural use  (Esri inc)
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apceth-201  (apceth Inc)
90
apceth Inc apceth-201
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sprague-dawley  (Dawley Inc)
90
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parm-r1  (Proteos Inc)
90
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ansys 2022r2  (ANSYS inc)
90
ANSYS inc ansys 2022r2
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makrolon ps property 3200  (Bayer AG)
90
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ashrae 90.1-2004  (ASHRAE Inc)
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compas-2  (COMPAS Inc)
90
COMPAS Inc compas-2
Roadmap of the work described in this article. Three main criteria are defined in increasing structural information content. For each criterion, we note the specific features that are studied in this work. For each of these, we investigate the effect of the feature on the set of molecular <t>properties.</t>
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minitab version 14  (Minitab Inc)
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Roadmap of the work described in this article. Three main criteria are defined in increasing structural information content. For each criterion, we note the specific features that are studied in this work. For each of these, we investigate the effect of the feature on the set of molecular <t>properties.</t>
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Image Search Results


Roadmap of the work described in this article. Three main criteria are defined in increasing structural information content. For each criterion, we note the specific features that are studied in this work. For each of these, we investigate the effect of the feature on the set of molecular properties.

Journal: Beilstein Journal of Organic Chemistry

Article Title: Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships

doi: 10.3762/bjoc.20.160

Figure Lengend Snippet: Roadmap of the work described in this article. Three main criteria are defined in increasing structural information content. For each criterion, we note the specific features that are studied in this work. For each of these, we investigate the effect of the feature on the set of molecular properties.

Article Snippet: In this section, we study the effects of the presence and number of different heteroatoms on the electronic properties of the molecules in COMPAS-2.

Techniques:

Comparison between COMPAS-1 (blue) and COMPAS-2 (purple). A) Principal Moments of Inertia shape distribution, all molecules sorted according to their normalized principal moments of inertia (I n , n = 1–3), with I 1 < I 2 < I 3 . B) Molecular properties (all reported in eV): HOMO, LUMO, AIP, and AEA.

Journal: Beilstein Journal of Organic Chemistry

Article Title: Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships

doi: 10.3762/bjoc.20.160

Figure Lengend Snippet: Comparison between COMPAS-1 (blue) and COMPAS-2 (purple). A) Principal Moments of Inertia shape distribution, all molecules sorted according to their normalized principal moments of inertia (I n , n = 1–3), with I 1 < I 2 < I 3 . B) Molecular properties (all reported in eV): HOMO, LUMO, AIP, and AEA.

Article Snippet: In this section, we study the effects of the presence and number of different heteroatoms on the electronic properties of the molecules in COMPAS-2.

Techniques: Comparison

Distributions of electronic properties of the dataset. KDE plots of HOMO, LUMO, Gap, AIP, and AEA colored according to the number of rings in the molecule. The KDEs are normalized such that the area under the curve is equal to 1 for each family.

Journal: Beilstein Journal of Organic Chemistry

Article Title: Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships

doi: 10.3762/bjoc.20.160

Figure Lengend Snippet: Distributions of electronic properties of the dataset. KDE plots of HOMO, LUMO, Gap, AIP, and AEA colored according to the number of rings in the molecule. The KDEs are normalized such that the area under the curve is equal to 1 for each family.

Article Snippet: In this section, we study the effects of the presence and number of different heteroatoms on the electronic properties of the molecules in COMPAS-2.

Techniques:

Distributions of molecular properties for 4 n and (4 n + 2) π-electron count systems, divided by the number of rings for: A) HOMO and LUMO energies and B) Gaps.

Journal: Beilstein Journal of Organic Chemistry

Article Title: Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships

doi: 10.3762/bjoc.20.160

Figure Lengend Snippet: Distributions of molecular properties for 4 n and (4 n + 2) π-electron count systems, divided by the number of rings for: A) HOMO and LUMO energies and B) Gaps.

Article Snippet: In this section, we study the effects of the presence and number of different heteroatoms on the electronic properties of the molecules in COMPAS-2.

Techniques:

Distributions of electronic properties of the dataset. KDE plots of A) HOMO, B) LUMO, C) Gap, D) AIP, and E) AEA colored according to the number of antiaromatic rings in the molecule. The KDEs are normalized such that the area under the curve is equal to 1 for each family.

Journal: Beilstein Journal of Organic Chemistry

Article Title: Hetero-polycyclic aromatic systems: A data-driven investigation of structure–property relationships

doi: 10.3762/bjoc.20.160

Figure Lengend Snippet: Distributions of electronic properties of the dataset. KDE plots of A) HOMO, B) LUMO, C) Gap, D) AIP, and E) AEA colored according to the number of antiaromatic rings in the molecule. The KDEs are normalized such that the area under the curve is equal to 1 for each family.

Article Snippet: In this section, we study the effects of the presence and number of different heteroatoms on the electronic properties of the molecules in COMPAS-2.

Techniques: