In this research, we used CoMFA, LSSVM and FFANN for creating QSAR models for predicting AXL Kinase inhibitory activity of N-[4-(Quinolin-4-yloxy)phenyl]benzenesulfonamides. A CoMFA model with three c

Figshare2019-09-20 更新00

Similarity metrics [8].

相似度计算

化学信息学

Used marks in the formula: – on bits in structure 1, – on bits in structure 2, – on bits in both 1 and 2, – off bits in both 1 and 2, , .

Figshare2015-12-02 更新00

1,3-dimethyl-2-phenyl-2H-benzimidazole

化学信息学

有机小分子表征

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI desc

DataCite Commons2024-05-18 更新20

List of 552 Mycotoxins and associated Smiles and JOELib descriptors

化学信息学

真菌毒素风险评估

Mycotoxin list containing 552 compounds was created from a literature search. From the compound names, simplified molecular-input line-entry system (Smiles) data were automatically retrieved using the

Zenodo2022-02-05 更新00

Statistical metrics for the linear QSPR model applied to PT (G).

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