相关论文: A Federated Learning Benchmark for Drug-Target Int…

Federated learning (FL) is a distributed machine learning approach involving multiple clients collaboratively training a shared model. Such a system has the advantage of more training data from multiple clients, but data can be…

Federated learning is a distributed paradigm that allows multiple parties to collaboratively train deep models without exchanging the raw data. However, the data distribution among clients is naturally non-i.i.d., which leads to severe…

Minimizing adverse reactions caused by drug-drug interactions has always been a momentous research topic in clinical pharmacology. Detecting all possible interactions through clinical studies before a drug is released to the market is a…

Federated learning is an emerging distributed machine learning framework for privacy preservation. However, models trained in federated learning usually have worse performance than those trained in the standard centralized learning mode,…

Federated learning allows multiple parties to collaboratively train a joint model without sharing local data. This enables applications of machine learning in settings of inherently distributed, undisclosable data such as in the medical…

Motivation: Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, machine learning model faces the cold-start…

Drug-drug interactions (DDIs) are a major concern in clinical practice, as they can lead to reduced therapeutic efficacy or severe adverse effects. Traditional computational approaches often struggle to capture the complex relationships…

In-silico prediction of repurposable drugs is an effective drug discovery strategy that supplements de-nevo drug discovery from scratch. Reduced development time, less cost and absence of severe side effects are significant advantages of…

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of…

Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models…

Federated learning (FL) has recently emerged as a popular privacy-preserving collaborative learning paradigm. However, it suffers from the non-independent and identically distributed (non-IID) data among clients. In this paper, we propose a…

Federated learning enables collaborative training of machine learning models among different clients while ensuring data privacy, emerging as the mainstream for breaking data silos in the healthcare domain. However, the imbalance of medical…

Federated Learning (FL) offers a distributed framework to train a global control model across multiple base stations without compromising the privacy of their local network data. This makes it ideal for applications like wireless traffic…

The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug…

Accurate drug-target interaction (DTI) prediction is essential for computational drug discovery, yet existing models often rely on single-modality predefined molecular descriptors or sequence-based embeddings with limited…

Non-independent and identically distributed (non-IID) data is a key challenge in federated learning (FL), which usually hampers the optimization convergence and the performance of FL. Existing data augmentation methods based on federated…

The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage…

Federated Domain Adaptation (FDA) is a federated learning (FL) approach that improves model performance at the target client by collaborating with source clients while preserving data privacy. FDA faces two primary challenges: domain shifts…

Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based deep learning methods avoid reliance on costly 3D…

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from…