Curated monomers for Virtual Forward Synthesis (VFS)

<p>This data set (named "monomers.pkl") of molecules was used to generate the hypothetical polymers stored in https://github.com/Ramprasad-Group/polyverse-structures. This data set is derived from the union of the ZINC15 and ChEMBL databases. The data set was created using the following rules: (1) select the molecules that are readily purchasable (2) select the molecules that have standard reactivity (3) strip counterions and chirality (4) Use the SAscore to remove complex molecules.</p> <p>The data set contains 7,754,881 entries. It contains two columns: "index" and "id-smiles". Each entry in "index" is an integer, starting from 0. Each entry in "id-smiles" is a tuple. The first element of the tuple is an ID (either the ZINC15 ID or the ChEMBL ID). The second element of the tuple is the processed SMILES string.</p>