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Drug response profile-based machine learning enables strategic cell line and compound selection for drug development. [PDF]
Abdel-Rehim A +3 more
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Guidelines for accurate EC50/IC50 estimation
Pharmaceutical Statistics, 2011AbstractThis article provides minimum requirements for having confidence in the accuracy of EC50/IC50 estimates. Two definitions of EC50/IC50s are considered: relative and absolute. The relative EC50/IC50 is the parameter c in the 4‐parameter logistic model and is the concentration corresponding to a response midway between the estimates of the lower ...
exaly +3 more sources
An IC 50 Calculator: brittalundstroem/IC50: IC50 R tool: Dominic; Marrnel
2023An R Shiny App to calculate IC50 and confidence interval.
Ritler, Dominic +2 more
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DFT based Computational Methodology of IC50 Prediction
Current Computer-Aided Drug Design, 2021Background: IC 50 is one of the most important parameters of a drug. But, it is very difficult to predict this value of a new compound without experiment. There are only a few QSAR based methods available for IC 50
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Drug Metabolism Letters, 2008
The relationship between time-dependent inactivation (TDI) and IC50 is examined using a consolidated method for evaluating CYP450 inhibition during drug discovery. An IC50 fold-shift of >1.5 indicated significant TDI potency. Further, the "shifted IC50" could be used to estimate, the K(I) and TDI potency ratio k(inact)/K(I) to within 2-fold in most ...
Loren M, Berry, Zhiyang, Zhao
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The relationship between time-dependent inactivation (TDI) and IC50 is examined using a consolidated method for evaluating CYP450 inhibition during drug discovery. An IC50 fold-shift of >1.5 indicated significant TDI potency. Further, the "shifted IC50" could be used to estimate, the K(I) and TDI potency ratio k(inact)/K(I) to within 2-fold in most ...
Loren M, Berry, Zhiyang, Zhao
openaire +2 more sources
2010 4th International Conference on Bioinformatics and Biomedical Engineering, 2010
Calculating methods for inhibitor concentration (IC50) leading to 50% activity lost (for diphenolase activity) of a novel parabolic competitive inhibitor (the trifluoromethyl-containing 1,2,3-triazole, TF-TA) and a novel mixed inhibitor ([E]-4-(1-imidazoylmethyl) cinnamic acid (ozagrel) were derived on the basis of kinetics of tyrosinase inhibition ...
Hairong Mao +4 more
openaire +1 more source
Calculating methods for inhibitor concentration (IC50) leading to 50% activity lost (for diphenolase activity) of a novel parabolic competitive inhibitor (the trifluoromethyl-containing 1,2,3-triazole, TF-TA) and a novel mixed inhibitor ([E]-4-(1-imidazoylmethyl) cinnamic acid (ozagrel) were derived on the basis of kinetics of tyrosinase inhibition ...
Hairong Mao +4 more
openaire +1 more source

