Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries.
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| Title: | Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries. |
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| Authors: | Beck AG; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Fine J; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Lam YH; Modeling and Informatics, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Sherer EC; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Regalado EL; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States., Aggarwal P; Analytical Research & Development, MRL, Merck & Co., Inc., Rahway, New Jersey 07065, United States. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2025 Feb 10; Vol. 65 (3), pp. 1053-1060. Date of Electronic Publication: 2025 Jan 30. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1549-960X |
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| DOI: | 10.1021/acs.jcim.4c01980 |
