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For: Hu H, Bajorath J. Activity cliffs produced by single-atom modification of active compounds: Systematic identification and rationalization based on X-ray structures. Eur J Med Chem 2020;207:112846. [PMID: 32977219 DOI: 10.1016/j.ejmech.2020.112846] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 2.5] [Reference Citation Analysis]
Number Citing Articles
1 Hu H, Bajorath J. Systematic identification of activity cliffs with dual-atom replacements and their rationalization on the basis of single-atom replacement analogs and X-ray structures. Chem Biol Drug Des 2021. [PMID: 34806310 DOI: 10.1111/cbdd.13985] [Reference Citation Analysis]
2 Zhou Y, Zhang Y, Lian X, Li F, Wang C, Zhu F, Qiu Y, Chen Y. Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents. Nucleic Acids Res 2021:gkab953. [PMID: 34718717 DOI: 10.1093/nar/gkab953] [Cited by in Crossref: 49] [Cited by in F6Publishing: 65] [Article Influence: 49.0] [Reference Citation Analysis]
3 Bonatto V, Shamim A, Rocho FDR, Leitão A, Luque FJ, Lameira J, Montanari CA. Predicting the Relative Binding Affinity for Reversible Covalent Inhibitors by Free Energy Perturbation Calculations. J Chem Inf Model 2021;61:4733-44. [PMID: 34460252 DOI: 10.1021/acs.jcim.1c00515] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 5.0] [Reference Citation Analysis]
4 Mao J, Akhtar J, Zhang X, Sun L, Guan S, Li X, Chen G, Liu J, Jeon HN, Kim MS, No KT, Wang G. Comprehensive strategies of machine-learning-based quantitative structure-activity relationship models. iScience 2021;24:103052. [PMID: 34553136 DOI: 10.1016/j.isci.2021.103052] [Cited by in Crossref: 15] [Cited by in F6Publishing: 18] [Article Influence: 15.0] [Reference Citation Analysis]
5 Hu H, Bajorath J. Data set of activity cliffs with single-atom modification and associated X-ray structure information for medicinal and computational chemistry applications. Data in Brief 2020;33:106364. [DOI: 10.1016/j.dib.2020.106364] [Reference Citation Analysis]