相关论文: FSSP to SCOP and CATH (F2CS) Prediction Server

In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…

Protein secondary structure prediction is an important problem in bioinformatics. Inspired by the recent successes of deep neural networks, in this paper, we propose an end-to-end deep network that predicts protein secondary structures from…

We introduce a unified Python package for the prediction of protein biophysical properties, streamlining previous tools developed by the Bio2Byte research group. This suite facilitates comprehensive assessments of protein characteristics,…

Determining whether a molecule can be synthesized is crucial in chemistry and drug discovery, as it guides experimental prioritization and molecule ranking in de novo design tasks. Existing scoring approaches to assess synthetic feasibility…

Protein quantification and analysis are well-accepted approaches for biomarker discovery but are limited to identification without structural information. High-throughput omics data (i.e., genomics, transcriptomics, and proteomics) have…

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Fractal and fractal-rate stochastic point processes (FSPPs and FRSPPs) provide useful models for describing a broad range of diverse phenomena, including electron transport in amorphous semiconductors, computer-network traffic, and…

Retrosynthesis prediction is one of the fundamental challenges in organic chemistry and related fields. The goal is to find reactants molecules that can synthesize product molecules. To solve this task, we propose a new graph-to-graph…

We present a quantitative, data-driven machine learning approach to mitigate the problem of unpredictability of Computer Science Graduate School Admissions. In this paper, we discuss the possibility of a system which may help prospective…

Predicting the binding of viral peptides to the major histocompatibility complex with machine learning can potentially extend the computational immunology toolkit for vaccine development, and serve as a key component in the fight against a…

We introduce Version 2 of SPECI, a system for predictive simulation modeling of large-scale data-centres, i.e. warehouse-sized facilities containing hundreds of thousands of servers, as used to provide cloud services.

Understanding causal relations is vital in scientific discovery. The process of causal structure learning involves identifying causal graphs from observational data to understand such relations. Usually, a central server performs this task,…

Numerical Weather Prediction (NWP) can reduce human suffering by predicting disastrous precipitation in time. A commonly-used NWP in the world is the European Centre for medium-range weather forecasts (EC). However, it is necessary to…

Decision-making is a process of choosing among alternative courses of action for solving complicated problems where multi-criteria objectives are involved. The past few years have witnessed a growing recognition of Soft Computing (SC)…

Two-stage Stochastic Programming (2SP) is a standard framework for modeling decision-making problems under uncertainty. While numerous methods exist, solving such problems with many scenarios remains challenging. Selecting representative…

Time series forecasting is crucial for applications like resource scheduling and risk management, where multi-step predictions provide a comprehensive view of future trends. Uncertainty Quantification (UQ) is a mainstream approach for…

Many feature subset selection (FSS) algorithms have been proposed, but not all of them are appropriate for a given feature selection problem. At the same time, so far there is rarely a good way to choose appropriate FSS algorithms for the…

FcsIT is a platform-independent, open-source tool for calculating the correlation and fitting fluorescence correlation spectroscopy data. The software is written in Python and uses a powerful Dear PyGUI engine for its interface. It provides…

Predicting protein properties, functions and localizations are important tasks in bioinformatics. Recent progress in machine learning offers an opportunities for improving existing methods. We developed a new approach called ProtBoost,…