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ZINC20 – A Free Ultra Large-Scale Chemical Database for Ligand Discovery

Identifying and purchasing new small molecules to test in biological assays is enabling for ligand discovery, but as purchasable chemical space continues to grow into the tens of billions based on inexpensive make-on-demand compounds, simply searching this space becomes a major challenge. We have th...

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Dades bibliogràfiques
Publicat a:J Chem Inf Model
Autors principals: Irwin, John J., Tang, Khanh G., Young, Jennifer, Dandarchuluun, Chinzorig, Wong, Benjamin R., Khurelbaatar, Munkhzul, Moroz, Yurii S., Mayfield, John, Sayle, Roger A.
Format: Artigo
Idioma:Inglês
Publicat: 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC8284596/
https://ncbi.nlm.nih.gov/pubmed/33118813
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c00675
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