<p>Molecular descriptors highly correlated with OCT1 activity inhibition for BIMs (r>0.90).</p
<p>Correlation of binding free energies with inhibitory activities for UA and its analogues.</p
The quantitative structure-activity relationship (QSAR) model searches for a reliable relationship b...
<p>A threshold of 6 log units was used to classify compounds as ‘active’. Abbreviations: MAD – Media...
<p>Correlations between eight molecular properties, including AlogP, MW, MSA, MFSA, nRings, <i>N<sub...
<p>Identified hit compounds for chymase inhibition are overlaid on LB_Model, SB_Model1, SB_Model2, a...
<p>Inhibitory activity (IC<sub>50</sub>, μM) against MAO-A and -B and selectivity index for LSD1.</p
<p>The number of compounds found to demonstrate inhibition at 10μM overall and with respect to the t...
<p>Molecular weight distribution of HBMP, and the ACE inhibitory activity of different fractions of ...
<p>The hotspot descriptors designed in this work are benchmarked against a set of 110 molecular desc...
<p>Biacore analysis of ErbB2 binding affinity of anti-ErbB2 DVD-Ig molecules.</p
QSAR study has been carried out on the MMP-13 inhibitory activity of fused pyrimidine derivatives po...
Copyright © 2014 Yuqin Li et al.This is an open access article distributed under the Creative Common...
<p>List of descriptors showing positive and negative correlation with the wild EGFR inhibitory activ...
<p>Correlation plot between Hypo1 predicted Btk inhibitory activities and experimental activities of...
Analysis of a large number of data on cytochrome P450 (P450) in-hibition obtained from quantitative ...
<p>Correlation of binding free energies with inhibitory activities for UA and its analogues.</p
The quantitative structure-activity relationship (QSAR) model searches for a reliable relationship b...
<p>A threshold of 6 log units was used to classify compounds as ‘active’. Abbreviations: MAD – Media...
<p>Correlations between eight molecular properties, including AlogP, MW, MSA, MFSA, nRings, <i>N<sub...
<p>Identified hit compounds for chymase inhibition are overlaid on LB_Model, SB_Model1, SB_Model2, a...
<p>Inhibitory activity (IC<sub>50</sub>, μM) against MAO-A and -B and selectivity index for LSD1.</p
<p>The number of compounds found to demonstrate inhibition at 10μM overall and with respect to the t...
<p>Molecular weight distribution of HBMP, and the ACE inhibitory activity of different fractions of ...
<p>The hotspot descriptors designed in this work are benchmarked against a set of 110 molecular desc...
<p>Biacore analysis of ErbB2 binding affinity of anti-ErbB2 DVD-Ig molecules.</p
QSAR study has been carried out on the MMP-13 inhibitory activity of fused pyrimidine derivatives po...
Copyright © 2014 Yuqin Li et al.This is an open access article distributed under the Creative Common...
<p>List of descriptors showing positive and negative correlation with the wild EGFR inhibitory activ...
<p>Correlation plot between Hypo1 predicted Btk inhibitory activities and experimental activities of...
Analysis of a large number of data on cytochrome P450 (P450) in-hibition obtained from quantitative ...
<p>Correlation of binding free energies with inhibitory activities for UA and its analogues.</p
The quantitative structure-activity relationship (QSAR) model searches for a reliable relationship b...
<p>A threshold of 6 log units was used to classify compounds as ‘active’. Abbreviations: MAD – Media...
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