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All compounds tested in this study were grouped into an active (EC50 ≤ 10 µM) and a decoy set (EC50 > 10 µM) consisting of 25 compounds each.
Phenol, a known human carcinogen, and creatinine, a human metabolite found in urine, were the compounds tested in this study.
The majority of the synthesized compounds, tested in binding assays, displayed α1-AR affinities in the nanomolar range.
Of the compounds tested in this pilot screen, no compound had effects on SSR exclusively that would be expected upon changes in the SERCA1a/SLN interaction, such as increased Ca affinity.
Pharmaceutical companies are faced with the challenge that only ∼10% of compounds tested in costly clinical trials eventually become a new drug.
Some synthesized compounds, tested in binding assays for the human cloned α1A-, α1B-, and α1D-AR subtypes, displayed affinities in the nanomolar range.
SVMs trained on a chemically diverse set of compounds were discovered to achieve maximum accuracies of ~80% using ~33% fewer compounds than datasets based on all compounds tested in existing studies.
Interestingly, preliminary in vivo toxicity assays revealed that both compounds tested in mice ([Pt(glut)(dbtp 2] 3 and [Pt(CBDC)(dbtp 2] 6) were less toxic in vivo than cisplatin or oxaliplatin.
SMILES strings for compounds tested in this manuscript (Figure 11).
These articles may or may not be relevant to substances and compounds tested in those assays.
Additional compounds tested in MLP were obtained in various ways, including purchase and synthesis.
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CEO of Professional Science Editing for Scientists @ prosciediting.com