Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications
Year: 2024
Type: erratum
Abstract: There was also an error in the Technical Validation section. In the original version we stated that a subset of 6842 complexes from PLAS-20k had experimental binding affinities whereas in fact this number was 6622. This error was made due to the original size of PLAS-20k being reduced from 20,000 to 19,500 complexes during the dataset creation but this reduction in size was not also accounted for in the validation sample. The correct (lower) sample size has been included in the manuscript (6842 replaced with 6622, where mentioned in the Technical Validation section and Figure 2 caption). Furthermore, the Pearson correlation coefficient (Rp) derived from this sample have been corrected to account for the correct sample size (originally stated as 0.50, now corrected to 0.53).
Source: Scientific Data
Authors: Divya B. Korlepara, C. S. Vasavi, Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G. Nair, Sanjana Pandey, Shubham Sharma, Shruti Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Indhu Ramachandran, Prathit Chatterjee, Divya Nayar, U. Deva Priyakumar
Language: English
Subfield: Drug Discovery
Domain: Life Sciences
Open Access status: gold
Estimated APC paid: $2,290
OpenAlex ID: W4400317002