AIMC Topic: Software

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Low-dimensional neural ordinary differential equations accounting for inter-individual variability implemented in Monolix and NONMEM.

CPT: pharmacometrics & systems pharmacology
Neural ordinary differential equations (NODEs) are an emerging machine learning (ML) method to model pharmacometric (PMX) data. Combining mechanism-based components to describe "known parts" and neural networks to learn "unknown parts" is a promising...

Deep learning pipeline for accelerating virtual screening in drug discovery.

Scientific reports
In the race to combat ever-evolving diseases, the drug discovery process often faces the hurdles of high-cost and time-consuming procedures. To tackle these challenges and enhance the efficiency of identifying new therapeutic agents, we introduce Vir...

Accurate and efficient prediction of atmospheric PM, PM, PM, and O concentrations using a customized software package based on a machine-learning algorithm.

Chemosphere
Particulate matter (PM) and ozone (O) pollution have been attracting increasing attention recently due to their severe harm to human health. PM and O are secondary pollutants, and there remain significant challenges in accurately and efficiently pred...

deepBBQ: A Deep Learning Approach to the Protein Backbone Reconstruction.

Biomolecules
Coarse-grained models have provided researchers with greatly improved computational efficiency in modeling structures and dynamics of biomacromolecules, but, to be practically useful, they need fast and accurate conversion methods back to the all-ato...

Protocol to calculate and compare exact Shapley values for different kernels in support vector machine models using binary features.

STAR protocols
The Shapley value formalism from cooperative game theory was adapted to explain predictions of machine learning models. Here, we present a protocol to calculate and compare exact Shapley values for support vector machine models with commonly used ker...

Introducing Our Custom GPT: An Example of the Potential Impact of Personalized GPT Builders on Scientific Writing.

World neurosurgery
BACKGROUND: The rapid progression of artificial intelligence (AI) and large language models (LLMs), such as ChatGPT, has contributed to increase its utility and popularity in various fields. Discourse about AI's potential role in different aspects of...

Microplastics and Trash Cleaning and Harmonization (MaTCH): Semantic Data Ingestion and Harmonization Using Artificial Intelligence.

Environmental science & technology
With the rapid expansion of microplastic research and reliance on semantic descriptors, there is an increasing need for plastic pollution data harmonization. Data standards have been developed but are seldom implemented across research sectors, geogr...

B cell epitope prediction by capturing spatial clustering property of the epitopes using graph attention network.

Scientific reports
Knowledge of B cell epitopes is critical to vaccine design, diagnostics, and therapeutics. As experimental validation for epitopes is time-consuming and costly, many in silico tools have been developed to computationally predict the B cell epitopes. ...

Testing process for artificial intelligence applications in radiology practice.

Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics (AIFB)
Artificial intelligence (AI) applications are becoming increasingly common in radiology. However, ensuring reliable operation and expected clinical benefits remains a challenge. A systematic testing process aims to facilitate clinical deployment by c...