Francois Berenger

2 Questions 11 Answers 0 Followers

Questions related from Francois Berenger

Is there a way to download all molecules from a published research paper?

Hello, Is there a (preferably free) way to download all molecules (SMILES or SDF) from a published scientific article? Like searching pubchem or chembl or ZINC via DOI or so? I would like to...

06 January 2020 7,764 3 View

Chemoinformatics: is there a formula telling how many conformers of a molecule to generate?

Let's say we want to generate conformers of ligands prior to docking them rigidly. Is there a formula, like a function of the number of rotatable bonds, to decide how many conformers (maximum) to...

11 August 2016 5,802 11 View