Sentence examples for molecule database from inspiring English sources
Molecule database framework.
Molecule Database Framework supports multi-component chemical compounds (mixtures).
Molecule Database Framework was developed by integrating free, open-source software components (Table 1).
As a solution for these issues Molecule Database Framework (MDF) was created.
Identified compounds are further directed to Quantum-Polarized Ligand Docking (QPLD), molecular fingerprint-based virtual screening of another small molecule database (Otava Drug Like small molecule database), and Structure-based Pharmacophore Modeling (E-Pharmacophore).
The best pharmacophore model is used to screen ∼2 M drug-like small molecule database and yielded 2543 hits.
Our method can be used to prioritize small molecule databases for kinase-based virtual screening.
Furthermore, we have also considered two popular small molecule databases viz.
Further, the model can be used for virtual screening of several small molecule databases.
Most small molecule databases assume that users know the name or structure of the compound of interest.
In this review, we describe iPPI-DB in the context of other low molecular weight molecule databases.
