相关论文: Accelerating Drug Safety Assessment using Bidirect…

The need for analysis of toxicity in new drug candidates and the requirement of doing it fast have asked the consideration of scientists towards the use of artificial intelligence tools to examine toxicity levels and to develop models to a…

Motivated by the need to automate medical information extraction from free-text radiological reports, we present a bi-directional long short-term memory (BiLSTM) neural network architecture for modelling radiological language. The model has…

We introduce a new approach for disfluency detection using a Bidirectional Long-Short Term Memory neural network (BLSTM). In addition to the word sequence, the model takes as input pattern match features that were developed to reduce…

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

Bidirectional Long Short-Term Memory (LSTM) is a special kind of Recurrent Neural Network (RNN) architecture which is designed to model sequences and their long-range dependencies more precisely than RNNs. This paper proposes to use deep…

Electronic health records (EHRs) contain structured and unstructured data of significant clinical and research value. Various machine learning approaches have been developed to employ information in EHRs for risk prediction. The majority of…

In drug discovery, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of small-molecule drugs is critical for ensuring safety and efficacy. However, the process of accurately predicting these…

Scientist learn early on how to cite scientific sources to support their claims. Sometimes, however, scientists have challenges determining where a citation should be situated -- or, even worse, fail to cite a source altogether.…

Chemical databases store information in text representations, and the SMILES format is a universal standard used in many cheminformatics software. Encoded in each SMILES string is structural information that can be used to predict complex…

This paper addresses the challenges of mining latent patterns and modeling contextual dependencies in complex sequence data. A sequence pattern mining algorithm is proposed by integrating Bidirectional Long Short-Term Memory (BiLSTM) with a…

Simplified Molecular Input Line Entry System (SMILES) is a single line text representation of a unique molecule. One molecule can however have multiple SMILES strings, which is a reason that canonical SMILES have been defined, which ensures…

The growing volume of available infrastructural monitoring data enables the development of powerful datadriven approaches to estimate infrastructure health conditions using direct measurements. This paper proposes a deep learning…

The response time of a biosensor is a crucial metric in safety-critical applications such as medical diagnostics where an earlier diagnosis can markedly improve patient outcomes. However, the speed at which a biosensor reaches a final…

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Molecular property prediction is an increasingly critical task within drug discovery and development. Typically, neural networks can learn molecular properties using graph-based, language-based or feature-based methods. Recent advances in…

SMILES is a linear representation of chemical structures which encodes the connection table, and the stereochemistry of a molecule as a line of text with a grammar structure denoting atoms, bonds, rings and chains, and this information can…

Quantum computing combined with machine learning (ML) is a highly promising research area, with numerous studies demonstrating that quantum machine learning (QML) is expected to solve scientific problems more effectively than classical ML.…

There is more and more evidence that machine learning can be successfully applied in materials science and related fields. However, datasets in these fields are often quite small ($\ll1000$ samples). It makes the most advanced machine…

Virtual screening is a technique used in drug discovery to select the most promising molecules to test in a lab. To perform virtual screening, we need a large set of molecules as input, and storing these molecules can become an issue. In…

In this paper, we propose a self-attentive bidirectional long short-term memory (SA-BiLSTM) network to predict multiple emotions for the EmotionX challenge. The BiLSTM exhibits the power of modeling the word dependencies, and extracting the…