Nathalie Malo

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High-throughput screening is an early critical step in drug discovery. Its aim is to screen a large number of diverse chemical compounds to identify candidate 'hits' rapidly and accurately. Few statistical tools are currently available, however, to detect quality hits with a high degree of confidence. We examine statistical aspects of data preprocessing and(More)
MOTIVATION High-throughput screening (HTS) plays a central role in modern drug discovery, allowing for testing of >100,000 compounds per screen. The aim of our work was to develop and implement methods for minimizing the impact of systematic error in the analysis of HTS data. To the best of our knowledge, two new data correction methods included in(More)
MOTIVATION High-throughput screening (HTS) is an early-stage process in drug discovery which allows thousands of chemical compounds to be tested in a single study. We report a method for correcting HTS data prior to the hit selection process (i.e. selection of active compounds). The proposed correction minimizes the impact of systematic errors which may(More)
Identification of active compounds in high-throughput screening (HTS) contexts can be substantially improved by applying classical experimental design and statistical inference principles to all phases of HTS studies. The authors present both experimental and simulated data to illustrate how true-positive rates can be maximized without increasing(More)
It has been shown by the methods of IR and1H and13C NMR spectroscopy and also by spectrometry that ether extracts a fat from the kernels of the fruit stones ofAnisophyllea laurina (familyRhizophoraceae, Guinea). The amount of fat is about 16% of the weight of the kernels. The acid composition of the fat has been studied by gas chromatography and mass(More)
Motivation: High-throughput screening (HTS) is an early-stage process in drug discovery which allows thousands of chemical compounds to be tested in a single study. We report a method for correcting HTS data prior to the hit selection process (i.e., selection of active compounds). The proposed correction minimizes the impact of systematic errors which may(More)
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