This paper is marked retracted in the scholarly record (OpenAlex). Interpret its findings with caution.
Retraction Note: Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh
Abstract
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Taxonomy
TopicsMachine Learning in Materials Science · Advanced Physical and Chemical Molecular Interactions · Computational Drug Discovery Methods
Retraction of: Scientific Reports 10.1038/s41598-024-62242-5, published online 23 May 2024
The Editors have retracted this Article.
After publication, concerns about the validity of the results reported in the Article were brought to the attention of the Editors, who requested the raw data underlying the study, but the Authors were unable to provide those. The Editors no longer have confidence in the reliability of the Article.
All authors disagree with this retraction.