Update README.md

README.md

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 license: cc-by-sa-4.0
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-Artificial Intelligence Canada Inc.
-Citations for AF3D_pLDDT_PChem3D_Shapes_Energy_Binding_2025_03_14
+Details of AF3D_pLDDT_PChem3D_Shapes_Energy_Binding_2025_03_14 data:
 
-AlphaFold DB predictions:
-Jumper, J et al. Highly accurate protein structure prediction with AlphaFold. Nature (2021).
-Varadi, M et al. AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models. Nucleic Acids Research (2021).
-https://alphafold.ebi.ac.uk
+De novo drug design:
+Energy minimization is used to generate new drug molecules from scratch based on the 3D structure of the target receptor 
+Energy minimization, also known as geometry optimization.
 
-PubChem:
-Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025;53(D1):D1516-D1525. doi:10.1093/nar/gkae1059
-https://pubchem.ncbi.nlm.nih.gov/docs/citation-guidelines#section=Primary-PubChem-Citation
+9329 Rows of data provided out of total of 14109 rows, 
+ Columns filtered to remove null values. 
 
-DrugCentral: online drug compendium 
-Oleg Ursu, Jayme Holmes, Jeffrey Knockel, Cristian G. Bologa, Jeremy J. Yang, Stephen L. Mathias, Stuart J. Nelson, Tudor I. Oprea
-Nucleic Acids Research, Volume 45, Issue D1, January 2017, Pages D932–D939, https://doi.org/10.1093/nar/gkw993
-https://drugcentral.org
+Duplicate "PDB_protein_key" mapped to same duplicate "AF 3D AtomicData"(along with all data in rows) due to the many to many relationship between Drugs, accession pathways and Genes.
 
-RCSB Protein Data Bank (RCSB PDB) 
-(K. Luger, A.W. Mader, R.K. Richmond, D.F. Sargent, T.J. Richmond Crystal structure of the core particle at 2.8Å resolution (1997) Nature 389: 251-260) created with NGL (A.S. Rose, A.R. Bradley, Y. Valasatava, J.D. Duarte, A. Prlić, P.W. Rose NGL viewer: web-based molecular graphics for large complexes (2018) Bioinformatics 34: 3755–3758)
-The RCSB PDB is a member of the worldwide PDB (wwPDB). wwPDB should be cited with the URL wwpdb.org and the following citation:
-H.M. Berman, K. Henrick, H. Nakamura Announcing the worldwide Protein Data Bank (2003) Nature Structural Biology 10:980 https://doi.org/10.1038/nsb1203-980.
-https://www.rcsb.org
+Duplicate "drug_name" mapped to same duplicate "PubChem_3D_Coordinates_With_Atoms"(along with all data in rows) to map with Alpha Fold output.
 
-The UniProt Consortium
-UniProt: the Universal Protein Knowledgebase in 2025
-Nucleic Acids Res. 53:D609–D617 (2025)
-https://www.uniprot.org
+one_accession field indicated one or multiple ascension pathways as of Nov 1, 2023
+Approx 600 proteins included with provided data with value "False" under one_accession field indicating multiple accession pathways per Gene 
+The Next release will have current full data on ascension pathways creating more possibilities for bootstrapping due to large number of rows. Resampling data with replacement creating confidence intervals from the columns of significance. In Newer "thinking" models these bootstrapped confidence intervals could be used to enhance model output via "chain of thought" (EG. apply confidence intervals to "chain of thought"  = "confidence intervals with chain of thought"). ?Similar to multiple sequence alignment with confidence intervals or energy minimization?
 
+Data could also be used for Basic Training or RL. 
+
+More detail to follow as AI works the problem.
 
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 Unless otherwise separately undertaken by the Licensor, to the extent possible, the Licensor offers the Licensed Material as-is and as-available, and makes no representations or warranties of any kind concerning the Licensed Material, whether express, implied, statutory, or other. This includes, without limitation, warranties of title, merchantability, fitness for a particular purpose, non-infringement, absence of latent or other defects, accuracy, or the presence or absence of errors, whether or not known or discoverable. Where disclaimers of warranties are not allowed in full or in part, this disclaimer may not apply to You.
 To the extent possible, in no event will the Licensor be liable to You on any legal theory (including, without limitation, negligence) or otherwise for any direct, special, indirect, incidental, consequential, punitive, exemplary, or other losses, costs, expenses, or damages arising out of this Public License or use of the Licensed Material, even if the Licensor has been advised of the possibility of such losses, costs, expenses, or damages. Where a limitation of liability is not allowed in full or in part, this limitation may not apply to You.
-The disclaimer of warranties and limitation of liability provided above shall be interpreted in a manner that, to the extent possible, most closely approximates an absolute disclaimer and waiver of all liability.
+The disclaimer of warranties and limitation of liability provided above shall be interpreted in a manner that, to the extent possible, most closely approximates an absolute disclaimer and waiver of all liability. Data not medically verified.