butina clustering - SERP Analysis

https://projects.volkamerlab.org/teachopencadd/talktorials/T005_compound_clustering.html

https://zoehlerbz.medium.com/molecule-clustering-using-the-butina-algorithm-application-with-python-and-rdkit-ffb5b5721447

https://pubs.acs.org/doi/10.1021/ci9803381

https://www.rdkit.org/docs/source/rdkit.ML.Cluster.Butina.html

https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1382319/full

https://datagrok.ai/help/datagrok/solutions/domains/chem/scripts/butina-cluster

https://github.com/PatWalters/workshop/blob/master/clustering/taylor_butina.ipynb

https://noel.redbrick.dcu.ie/R_clustering.html

https://pmc.ncbi.nlm.nih.gov/articles/PMC10046274/

https://docs.datamol.io/0.7.12/tutorials/Clustering.html

https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/65a9771b66c1381729c2d289/original/innovative-integration-of-butina-clustering-with-ensemble-learning-techniques-for-the-refined-pharmacophore-modeling-of-apelin-receptor-agonists-a-high-impact-computational-approach.pdf

https://greglandrum.github.io/rdkit-blog/posts/2023-03-02-clustering-conformers.html

https://pubs.acs.org/doi/pdf/10.1021/ci9803381

https://iwatobipen.wordpress.com/2024/09/01/new-and-fast-clustering-algorithm-of-chemical-libraries-cheminformatics-rdkit-clustering/

https://pmc.ncbi.nlm.nih.gov/articles/PMC11326248/

https://www.quandlelabs.com/tools/butina_compound_clustering

https://sourceforge.net/p/rdkit/mailman/message/37323596/

https://github.com/rdkit/rdkit/issues/2492

https://www.reddit.com/r/comp_chem/comments/1fxkncb/help_clustering_a_chemical_library_based_on/

https://macinchem.org/2023/03/05/options-for-clustering-large-datasets-of-molecules/

https://chemfp.com/docs/chemfp_butina_command.html

https://chemrxiv.org/engage/chemrxiv/article-details/65a9771b66c1381729c2d289

https://mattermodeling.stackexchange.com/questions/13033/butina-cluster-over-a-300-million-smiles

https://colab.research.google.com/github/PatWalters/practical_cheminformatics_tutorials/blob/main/clustering/taylor_butina_clustering.ipynb

https://sourceforge.net/p/rdkit/mailman/message/36425492/

https://rdkit-discuss.narkive.com/KnfGhXrf/clustering

https://squonk.it/docs/cells/RDKit%20Butina%20Clustering/

https://chemfp.com/docs/chemfp_clustering.html

https://rdkit-discuss.narkive.com/Q4zTp9SZ/overview-of-clustering-in-rdkit

http://www.mayachemtools.org/docs/scripts/html/RDKitClusterMolecules.html

https://www.researchgate.net/figure/Taylor-Butina-clustering-with-similarity-cutoff-090-a-Clustering-of-all-50-555_fig6_369108955

https://training.galaxyproject.org/training-material/by-tool/bgruening/ctb_chemfp_butina_clustering.html

https://toolshed.g2.bx.psu.edu/repository/display_tool?repository_id=f8e658b55219cf9e&tool_config=%2Fsrv%2Ftoolshed-repos%2Fmain%2F000%2Frepo_466%2Fbutina_clustering.xml&changeset_revision=3b14765c22ee

http://dalkescientific.com/writings/taylor_butina.py

https://chemfp.readthedocs.io/en/latest/whats_new_in_41.html

https://www.rdkit.org/docs/source/rdkit.ML.Cluster.html

https://www.youtube.com/watch?v=4V7V2GlxOto

https://www.um.edu.mt/library/oar/bitstream/123456789/52960/4/19MAIPT004.pdf

https://www.nextmovesoftware.com/talks/Sayle_2DSimilarityDiversityAndClusteringInRdkit_RDKITUGM_201909.pdf

http://practicalcheminformatics.blogspot.com/2021/07/viewing-clustered-chemical-structures.html

https://www.researchgate.net/publication/369108955_On_the_Best_Way_to_Cluster_NCI-60_Molecules

https://www.frontiersin.org/journals/natural-products/articles/10.3389/fntpr.2024.1367537/full

https://www.youtube.com/watch?v=Arf9qNsEbGg

https://www.biorxiv.org/content/10.1101/2024.08.10.607459v1

https://colab.research.google.com/github/schwallergroup/ai4chem_course/blob/main/notebooks/04%20-%20Unsupervised%20Learning/Clustering.ipynb

https://squonk.it/docs/cells/RDKit%20Cluster%20Matrix/

https://pubs.rsc.org/en/content/articlelanding/2025/dd/d5dd00030k

https://www.linkedin.com/pulse/picking-diverse-subsets-molecules-squonk-tim-dudgeon

https://www.um.edu.mt/library/oar/handle/123456789/52960

https://chemfp.readthedocs.io/en/chemfp-1.3/using-api.html

https://qiita.com/Ru-PNP/items/56c35f9abd10bd633e1b

https://www.youtube.com/watch?v=r8jeO5maRhQ

https://hub.knime.com/knime/spaces/Examples/99_Community/03_RDKit/01_Clustering~FixWmwJ8oH3FoQ28/current-state

https://www.wowdeals.me/ae/nesto/catalogs/midweek-deals-butina-sharjah-178

https://cloud.tencent.com/developer/inventory/10841/article/1782592

https://magattaca.hatenablog.com/entry/2020/04/25/161946

https://en.wikipedia.org/wiki/Cluster_analysis

https://note.com/knimesupportteam/n/n3a335d4a89ec

https://www.abc.net.au/listen/programs/if-youre-listening

https://www.instagram.com/reel/DK-pjY0p4hP/