Google sheets hit picking

Revision as of 17:01, 27 February 2019 by Matthew O'Meara (talk | contribs)
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To use Google sheets for hit-picking

1. Put zinc_ids in sorted order in a column, e.g. B2-B100

2. To depict the molecules copy and paste the following in each cells in new column. E.g. put this in cell C2 to depict the molecule in B2

   =IMAGE(CONCATENATE("", B2, "-small.png"))

3. Use IMPORTDATA to populate additional columns of interest in the header of the next columns. It looks like it can only load 3 columns at a time, so for example put the first cell D1, the next . Look up additional columns of interest here ``

   Put in cell D1: =IMPORTDATA(CONCATENATE("", JOIN("+", B2:B100),"&output_fields=smiles mol_formula logp"))
   Put in cell G1: =IMPORTDATA(CONCATENATE("", JOIN("+", B2:B100),"&output_fields=mwt num_chiral_centers reactivity"))
   Put in cell K1: =IMPORTDATA(CONCATENATE("", JOIN("+", B2:B100),"&output_fields=predicted_gene_names purchasability supplier_codes"))