Dictionary of 140k GDB and ZINC derived AMONs

B2FIND2026-04-11 收录

金属有机化学

化学信息学

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https://b2find.eudat.eu/dataset/cef7a41e-4ee2-5263-9d18-6da3e1a64313 数据链接链接失效反馈

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We present all AMONs for GDB and Zinc data-bases using no more than 7 non-hydrogen atoms (AGZ7)---a calculated organic chemistry building-block dictionary based on the AMON...

e3fp-pubchemqc-prop

化学信息学

分子属性预测

3D-MolT5是一个用于分子文本建模的数据集，它利用了离散结构信息。数据集包含多个特征字段，如索引、任务类型、SMILES表示、指令、输出、分子指纹和SELFIES表示。数据集分为训练集、验证集和测试集，分别包含不同的示例数量。该数据集可用于分子属性的预测等任务。

Hugging Face2025-09-02 更新40

Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands

金属有机化学

金属空腔化合物合成

With the intent of generating metallocavitands isostructural to species [(CpZr)3(μ3-O)(μ2-OH)3(κO,O,μ2-O2C(R))3]+, the reaction of Cp*2ZrCl2 and Cp*ZrCl3 with phenylcarboxylic acids was carried out

Figshare2016-02-13 更新10

Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations

金属有机化学

金属卡宾配合物

A series of η1-α-phosphinocarbene complexes of manganese, Cp(CO)2MnC(R)PR′R′′ (3; 3a: R = Ph, R′ = H, R′′ = Mes; 3b: R = Me, R′ = H, R′′ = Mes; 3c: R = Ph, R′ = R′′ = Ph; 3d: R = Ph, R′ = R′′ = N(i-P

Figshare2016-02-23 更新00

Compound 527056: 2,6,6-Trimethyl-1-(but-2-enoyl)-cyclohex-2-en-4-one

化学信息学

化合物表征

Chemical compound data from PubChem database. IUPAC Name: 4-but-2-enoyl-3,5,5-trimethylcyclohex-2-en-1-one. Molecular Formula: C13H18O2. Molecular Weight: 206.28....

data.gov20

Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene ComplexesA Reactivity and Bonding Study

金属有机化学

配位化学

A study of the coordination chemistry of bis(diphenylphosphino)acetylene, Ph2P–CC–PPh2, with selected group 4 metallocenes is presented. By substitution of the alkyne in complexes of the type Cp′2M

Figshare2016-02-18 更新00

Dictionary of 140k GDB and ZINC derived AMONs

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