ContraDRG: Automatic Partial Charge Prediction by Machine Learning

Cardiovascular Event Prediction by Machine Learning

Transfer Automatic Machine Learning

Building effective neural networks requires many design choices. These include the network topology, optimization procedure, regularization, stability methods, and choice of pre-trained parameters. This design is time consuming and requires expert input. Automatic Machine Learning aims automate this process using hyperparameter optimization. However, automatic model building frameworks optimize...

Stock Price Prediction using Machine Learning and Swarm Intelligence

Background and Objectives: Stock price prediction has become one of the interesting and also challenging topics for researchers in the past few years. Due to the non-linear nature of the time-series data of the stock prices, mathematical modeling approaches usually fail to yield acceptable results. Therefore, machine learning methods can be a promising solution to this problem. Methods: In this...

Automatic single- and multi-label enzymatic function prediction by machine learning

The number of protein structures in the PDB database has been increasing more than 15-fold since 1999. The creation of computational models predicting enzymatic function is of major importance since such models provide the means to better understand the behavior of newly discovered enzymes when catalyzing chemical reactions. Until now, single-label classification has been widely performed for p...

Diagnosing Breast Cancer by Machine Learning

Background and Aim: Cancer and in particular Breast cancer are among the diseases that have the highest mortality rate in Iran after heart disease. The accurate prognosis for Breast cancer is important, and the presence of various symptoms and features of this disease makes it difficult for doctors to diagnose. This study aimed to identify the factors affecting Breast cancer, modeling and ultim...