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High-content, imaging-based screens now routinely generate data on a scale that precludes manual verification and interrogation. Software applying machine learning has become an essential tool to automate analysis, but these methods require annotated examples to learn from. Efficiently exploring large datasets to find relevant examples remains a challenging bottleneck. Here, we present Advanced Cell Classifier (ACC), a graphical software package for phenotypic analysis that addresses these difficulties. ACC applies machine-learning and image-analysis methods to high-content data generated by large-scale, cell-based experiments. It features methods to mine microscopic image data, discover new phenotypes, and improve recognition performance. We demonstrate that these features substantially expedite the training process, successfully uncover rare phenotypes, and improve the accuracy of the analysis. ACC is extensively documented, designed to be user-friendly for researchers without machine-learning expertise, and distributed as a free open-source tool at www.cellclassifier.org. Copyright 2017 Elsevier Inc. All rights reserved.
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Virtual screening is an important step in early-phase of drug discovery process. Since there are thousands of compounds, this step should be both fast and effective in order to distinguish drug-like and nondrug-like molecules. Statistical machine learning methods are widely used in drug discovery studies for classification purpose. Here, we aim to develop a new tool, which can classify molecules as drug-like and nondrug-like based on various machine learning methods, including discriminant, tree-based, kernel-based, ensemble and other algorithms. To construct this tool, first, performances of twenty-three different machine learning algorithms are compared by ten different measures, then, ten best performing algorithms have been selected based on principal component and hierarchical cluster analysis results. Besides classification, this application has also ability to create heat map and dendrogram for visual inspection of the molecules through hierarchical cluster analysis. Moreover, users can connect the PubChem database to download molecular information and to create two-dimensional structures of compounds. This application is freely available through www.biosoft.hacettepe.edu.tr/MLViS/. PMID:25928885
A large number of studies, based on 3-axis end milling of free-form surfaces, seek to optimize tool path planning. Approaches try to optimize the machining time by reducing the total tool path length while respecting the criterion of the maximum scallop height. Theoretically, the tool path trajectories that remove the most material follow the directions in which the machined width is the largest. The free-form surface is often considered as a single machining area. Therefore, the optimization on the entire surface is limited. Indeed, it is difficult to define tool trajectories with optimal feed directions which generate largest machined widths. Another limiting point of previous approaches for effectively reduce machining time is the inadequate choice of the tool. Researchers use generally a spherical tool on the entire surface. However, the gains proposed by these different methods developed with these tools lead to relatively small time savings. Therefore, this study proposes a new method, using toroidal milling tools, for generating toolpaths in different regions on the machining surface. The surface is divided into several regions based on machining intervals. These intervals ensure that the effective radius of the tool, at each cutter-contact points on the surface, is always greater than the radius of the tool in an optimized feed direction. A parallel plane strategy is then used on the sub-surfaces with an optimal specific feed direction for each sub-surface. This method allows one to mill the entire surface with efficiency greater than with the use of a spherical tool. The proposed method is calculated and modeled using Maple software to find optimal regions and feed directions in each region. This new method is tested on a free-form surface. A comparison is made with a spherical cutter to show the significant gains obtained with a toroidal milling cutter. Comparisons with CAM software and experimental validations are also done. The results show the 076b4e4f54