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On the other hand, high performance observed for a Family QSAM model would indicate that the bioactivity values only depend on the targets and not on the compounds, i.e. the bioactivities of a set of diverse compounds are correlated on a given target.
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From each of these sets of actives, the 100 most diverse compounds were chosen using the diversity picker of RDKit [42] resulting in total 5000 actives.
Plasma concentration-time profiles in rats from structurally diverse compounds were extracted from the Pfizer database.
Using this synthesis a number of diverse compounds was synthesized with altered target specificity.
Consequently, a number of structurally diverse compounds were successfully identified to exhibit satisfactory inhibition profile against mTOR with IC50 values at nanomolar level.
A set of 14 structurally diverse compounds were designed with varying key pharmacophoric features of DHFR inhibitors, bulky distal substitutions and different bridges joining the distal part and 2,4-diaminopyrimidine nucleus.
Primarily, kinetic experiments of diverse compounds were explored.
Most diverse compounds were synthesized at seedling stage and OACs were accumulated more at flowering followed by seedling stage.
The structurally diverse compounds were evaluated for elucidation of the BCRP polymorph mediated uptakes and establishment of the relationships with their molecular structures.
In the landmark study by Lamb et al., the connections between disease-associated gene expression "footprints" and gene expression profiles of different cell lines treated with diverse compounds were explored through meta-analysis of data generated on a highly standardized, single microarray platform [11].
Based on these results and the current compound availability at the NCI, eight structurally diverse compounds were submitted to in vitro evaluation of their agonistic effect on human FXR.
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