From b5dbf1c16747a3503eb637d82ad274dbe2372575 Mon Sep 17 00:00:00 2001 From: Jochen Sieg Date: Thu, 10 Oct 2024 13:06:10 +0200 Subject: [PATCH] readme: add link to neural fp paper + make icon smaller --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index b42b655e..80b7cf63 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ # MolPipeline MolPipeline is a Python package for processing molecules with RDKit in scikit-learn. - -

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## Background @@ -30,8 +30,8 @@ molecules with RDKit in scikit-learn, J. Chem. Inf. Model., doi:10.1021/acs.jcim \ Further links: [arXiv](https://chemrxiv.org/engage/chemrxiv/article-details/661fec7f418a5379b00ae036) -Feldmann CW, Sieg J, and Mathea M, Analysis of uncertainty of neural -fingerprint-based models, 2024 +[Feldmann CW, Sieg J, and Mathea M, Analysis of uncertainty of neural +fingerprint-based models, 2024](https://doi.org/10.1039/D4FD00095A) \ Further links: [repository](https://github.com/basf/neural-fingerprint-uncertainty)