Flexible molecular docking is a computational method of structure-based drug design to evaluate binding interactions between receptor and ligand and identify the ligand conformation within the receptor pocket. Currently, various molecular docking programs are extensively applied; therefore, realizing accuracy and performance of the various docking programs could have a significant value. In this comparative study, the performance and accuracy of three widely used non-commercial docking software (AutoDock Vina, 1-Click Docking, and UCSF DOCK) was evaluated through investigations of the predicted binding affinity and binding conformation of the same set of small molecules (HIV-1 protease inhibitors) and a protein target HIV-1 protease enzy

Problem: Cancer is regarded as one of the world's deadliest diseases. Machine learning and its new branch (deep learning) algorithms can facilitate the way of dealing with cancer, especially in the field of cancer prevention and detection. Traditional ways of analyzing cancer data have their limits, and cancer data is growing quickly. This makes it possible for deep learning to move forward with its powerful abilities to analyze and process cancer data. Aims: In the current study, a deep-learning medical support system for the prediction of lung cancer is presented. Methods: The study uses three different deep learning models (EfficientNetB3, ResNet50 and ResNet101) with the transfer learning concept. The three models are trained using a

The study aims to identify the psychological, social, and academic problems that encounter students at the college of education. To this end, the researcher utilized the descriptive approach, where a questionnaire was used as a tool to collect the study data. The findings of study revealed that the main academic problems are inability to understand what the students read, lack of concentration over the process of studying. The Difficulty of preparation for test. Lack of ability to memorize quickly. As for the prominent social problems: the excessive usage of social media that drove students away from their main tasks, the Lack of participation in social activities, the scarcity the religious information. The psychological problems includ

In present work the effort has been put in finding the most suitable color model for the application of information hiding in color images. We test the most commonly used color models; RGB, YIQ, YUV, YCbCr1 and YCbCr2. The same procedures of embedding, detection and evaluation were applied to find which color model is most appropriate for information hiding. The new in this work, we take into consideration the value of errors that generated during transformations among color models. The results show YUV and YIQ color models are the best for information hiding in color images.

The Mauddud reservoir, Khabaz oil field which is considered one of the main carbonate reservoirs in the north of Iraq. Recognizing carbonate reservoirs represents challenges to engineers because reservoirs almost tend to be tight and overall heterogeneous. The current study concerns with geological modeling of the reservoir is an oil-bearing with the original gas cap. The geological model is establishing for the reservoir by identifying the facies and evaluating the petrophysical properties of this complex reservoir, and calculate the amount of hydrocarbon. When completed the processing of data by IP interactive petrophysics software, and the permeability of a reservoir was calculated using the concept of hydraulic units then, there

Spatial Autoregressive Model (SAR) is one of the modeling frameworks that indicates a spatial dependence in the response variable. SAR model has a weakness, which is represented by the unknown variance of the residuals. Therefore, an alternative model has used titled Spatial Autoregressive Quantile Regression (SARQR) model That which is obtained by combining SAR and Quantile Regression (QR) models, is a regression method with the approach of dividing the data into particular quantiles that are likely to have different estimate values. This alternative model addresses the variance issues in SAR models. Additionally, the SARQR model not only resolves the issue of spatial variance but also serves as a solution for dealing with non-normal data

Monaural source separation is a challenging issue due to the fact that there is only a single channel available; however, there is an unlimited range of possible solutions. In this paper, a monaural source separation model based hybrid deep learning model, which consists of convolution neural network (CNN), dense neural network (DNN) and recurrent neural network (RNN), will be presented. A trial and error method will be used to optimize the number of layers in the proposed model. Moreover, the effects of the learning rate, optimization algorithms, and the number of epochs on the separation performance will be explored. Our model was evaluated using the MIR-1K dataset for singing voice separation. Moreover, the proposed approach achi

Machine learning models have recently provided great promise in diagnosis of several ophthalmic disorders, including keratoconus (KCN). Keratoconus, a noninflammatory ectatic corneal disorder characterized by progressive cornea thinning, is challenging to detect as signs may be subtle. Several machine learning models have been proposed to detect KCN, however most of the models are supervised and thus require large well-annotated data. This paper proposes a new unsupervised model to detect KCN, based on adapted flower pollination algorithm (FPA) and the k-means algorithm. We will evaluate the proposed models using corneal data collected from 5430 eyes at different stages of KCN severity (1520 healthy, 331 KCN1, 1319 KCN2, 1699 KCN3 a