AIMC Topic: Machine Learning

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Deep Learning in Structure-Based Drug Design.

Methods in molecular biology (Clifton, N.J.)
Computational methods play an increasingly important role in drug discovery. Structure-based drug design (SBDD), in particular, includes techniques that take into account the structure of the macromolecular target to predict compounds that are likely...

Predicting Residence Time of GPCR Ligands with Machine Learning.

Methods in molecular biology (Clifton, N.J.)
Drug-target residence time, the duration of binding at a given protein target, has been shown in some protein families to be more significant for conferring efficacy than binding affinity. To carry out efficient optimization of residence time in drug...

Application of Artificial Intelligence and Machine Learning in Drug Discovery.

Methods in molecular biology (Clifton, N.J.)
Machine Learning (ML) and Deep Learning (DL) are two subclasses of Artificial Intelligence (AI), that, in this day and age of big data provides significant opportunities to pharmaceutical discovery research and development by translating data to info...

Fighting COVID-19 with Artificial Intelligence.

Methods in molecular biology (Clifton, N.J.)
The development of vaccines for the treatment of COVID-19 is paving the way for new hope. Despite this, the risk of the virus mutating into a vaccine-resistant variant still persists. As a result, the demand of efficacious drugs to treat COVID-19 is ...

Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints.

Methods in molecular biology (Clifton, N.J.)
The well-known concept of quantitative structure-activity relationships (QSAR) has been gaining significant interest in the recent years. Data, descriptors, and algorithms are the main pillars to build useful models that support more efficient drug d...

Predicting RNA Secondary Structure Using In Vitro and In Vivo Data.

Methods in molecular biology (Clifton, N.J.)
The new flow of high-throughput RNA secondary structure data coming from different techniques allowed the further development of machine learning approaches. We developed CROSS and CROSSalive, two algorithms trained on experimental data able to predi...

Prediction of diagnosis and prognosis of COVID-19 disease by blood gas parameters using decision trees machine learning model: a retrospective observational study.

Medical gas research
The coronavirus disease 2019 (COVID-19) epidemic went down in history as a pandemic caused by corona-viruses that emerged in 2019 and spread rapidly around the world. The different symptoms of COVID-19 made it difficult to understand which variables ...

Artificial intelligence: opportunities in lung cancer.

Current opinion in oncology
PURPOSE OF REVIEW: In this article, we focus on the role of artificial intelligence in the management of lung cancer. We summarized commonly used algorithms, current applications and challenges of artificial intelligence in lung cancer.

Physiological Assessment of Delirium Severity: The Electroencephalographic Confusion Assessment Method Severity Score (E-CAM-S).

Critical care medicine
OBJECTIVES: Delirium is a common and frequently underdiagnosed complication in acutely hospitalized patients, and its severity is associated with worse clinical outcomes. We propose a physiologically based method to quantify delirium severity as a to...

Brain Tumor Detection Using Machine Learning and Deep Learning: A Review.

Current medical imaging
According to the International Agency for Research on Cancer (IARC), the mortality rate due to brain tumors is 76%. It is required to detect the brain tumors as early as possible and to provide the patient with the required treatment to avoid any fat...