Printing method for pai objects (pesticidal active ingredients)

From 81dd5ed73a48ba811304ab9211d501b973eb640c Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Thu, 20 Jun 2024 14:57:23 +0200 Subject: Fix rdkit availability, prefer user/isomeric SMILES In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined. --- docs/reference/print.pai.html | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) (limited to 'docs/reference/print.pai.html') diff --git a/docs/reference/print.pai.html b/docs/reference/print.pai.html index 9ebefa6..8c64388 100644 --- a/docs/reference/print.pai.html +++ b/docs/reference/print.pai.html @@ -1,16 +1,16 @@ -Printing method for pai objects (pesticidal active ingredients) — print.pai • chentsPrinting method for pai objects (pesticidal active ingredients) — print.pai • chents -