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The model molecules selected for this study were 1,3-diisopropylurea (IPU), as a potential GTI and keppra (KP), mometasone furoate (Meta) and roxithromycin (Roxi), as APIs.
Conclusion: We demonstrate that shRNA and siRNA molecules selected for optimal duplex terminal asymmetry and optimal duplex stability of fully paired antisense strand are, on average, highly efficient.
The results of the simulation for the four molecules selected for experimental measurements: Erk1/2, Akt1, Jnk, and p70S6K, are given in Figure 3.
The molecules selected for validation were based on the biological relevance and their potential to secretory nature and/or presence of transmembrane domain.
The ten molecules selected for the analysis were lansoprazole, glicazide, furosemide, bisoprolol and thiazides, diltiazem, clarithromycin, piroxicam, tramadol, citalopram and acetylcysteine.
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Do parasites that mimic host molecules select for antigen-specific immunity?
Profile 76800 molecules selected from ZINC everything for substructure search set.
Profile 61500 molecules selected from ZINC lead-like for the substructure search set.
Focusing on the optimal configuration of a molecule selects for materials that can be used more efficiently by the human body while cutting down on pharmaceutical bulk.
Thus, adjuvants of the future might be a mixture of molecules selected singularly for a capacity to attract, target or activate professional antigen presenting cells.
After visual inspection, 22 molecules were selected for experimental testing from the top ∼0.2% of each subset: 17 lead-like molecules ranked in the top 5000 (out of 2.7M) and 5 fragment-like molecules ranked in the top 400 (out of 400K).
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Justyna Jupowicz-Kozak
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