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Structured Review

ChemAxon LLC calculator plugins
Calculator Plugins, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/plugins/calculator+plugins/pm30068171-180-0-16
Average 90 stars, based on 1 article reviews
calculator plugins - by Bioz Stars, 2026-11
90/100 stars

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Article Title: NVL-655 Is a Selective and Brain-Penetrant Inhibitor of Diverse ALK-Mutant Oncoproteins, Including Lorlatinib-Resistant Compound Mutations
Article Snippet: Calculator Plugins were used for structure property prediction and calculation, Marvin 19.20.0, 2019, Chemaxon ( http://www.chemaxon.com ): logD 7.4 , TPSA, and predicted basic pK a .

Article Title: Novel sigma 1-antagonists with cis -(+)-normetazocine scaffold: synthesis, molecular modeling, and antinociceptive effect.
Article Snippet: A comprehensive computational prediction of the pharmacokinetic profile and brain/plasma distribution of compound 7 was conducted using the Calculator Plugins of ChemAxon and the SwissADME web tool.29 Notably, with high accuracy, the SwissADME platform incorporates advanced algorithms capable of identifying potential false positive results, a common issue in biochemical assays for small molecules.

Article Title: NVL-655 Is a Selective and Brain-Penetrant Inhibitor of Diverse ALK-Mutant Oncoproteins, Including Lorlatinib-Resistant Compound Mutations
Article Snippet: NVL-655 Is a Selective and BrainPenetrant Inhibitor of Diverse ALK-Mutant Oncoproteins, Including Lorlatinib-Resistant

Article Title: Novel sigma 1-antagonists with cis -(+)-normetazocine scaffold: synthesis, molecular modeling, and antinociceptive effect
Article Snippet: A comprehensive computational prediction of the pharmacokinetic profile and brain/plasma distribution of compound 7 was conducted using the Calculator Plugins of ChemAxon and the SwissADME web tool.

Article Title: Development of dual V1a/V2 antagonists containing triazolobenzazepine scaffold.
Article Snippet: The development of a dual V1a/V2 antagonist compound is a complex and challenging task.. Conivaptan is up to now the only known V1a/V2 antagonist which was approved for the treatment of euvolemic hyponatremia.. Previously, we reported RGH-122, a novel selective V1a antagonist compound.

Article Title: Synthesis and in vivo biological characterization of six carbon-11 sigma-1 receptor radiotracers in rodent and nonhuman primate.
Article Snippet: Six enantiomers of three racemic sigma-1 receptor (σ1R) ligands were resolved, and absolute configuration was determined.. Their high σ1R potency and selectivity were determined through in vitro binding assays, further validated by molecular docking analysis.. Central Nervous System Multiparameter Optimization algorithm (CNS MPO) predicts efficient brain penetration for these enantiomers.

Article Title: Enhanced anticancer effect of thymidylate synthase dimer disrupters by promoting intracellular accumulation
Article Snippet: [3] "Calculator Plugins were used for structure property prediction and calculation, Marvin 24.1.1, 2024, ChemAxon (http://www.chemaxon.com)" https://docs.chemaxon.com/display/docs/calculators_logd-plugin.md.

Activity Assay:

Article Title: Enhanced anticancer effect of thymidylate synthase dimer disrupters by promoting intracellular accumulation
Article Snippet: .. They have logD’s of −0.18 and −3.23 [“Calculator Plugins were used for structure property prediction and calculation, Marvin 24.1.1, 2024, ChemAxon ( http://www.chemaxon.com )”], and no observed cellular activity at 100 μM ( ). ..



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