S-GDB13
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According to Lipinski's rule, all molecules in GDB-13 are considered to be drug-like. Reducing the number of molecules and finding more drug-like molecules are the basis for accelerating drug development. The D-GCAN was used to predict the drug-likeness on this database. With the help of D-GCAN, the number of drug-like molecules was reduced to 570 million. The screened database (S-GDB13) can be used to screen novel drug candidates for specific potencies.
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Zenodo创建时间：
2022-09-07
