# HG changeset patch # User Andrew Dalke # Date 1613809259 -3600 # Sat Feb 20 09:20:59 2021 +0100 # Node ID 970aa72aef19de5a33601234e35ce99bc784de31 # Parent d7ff5324496e2c8cc1986814c4ebb68816338bd6 there's a button as well diff --git a/README.md b/README.md --- a/README.md +++ b/README.md @@ -135,8 +135,9 @@ web app. The query can be a SMILES string, a ChEMBL id, or a ChEMBL compound -name. The number of neighbors (k) to find and the minimum -similarity threshold are selectable. +name. The number of neighbors to find and the minimum similarity +threshold can be changed interactively. Or, press the button to go to +a random id! The chemfp search results are put in a Pandas table, along with a compound name and SMILES, found by an identifier lookup using the