active ingredient
Predictive Modeling and Explainable AI for Veterinary Safety Profiles, Residue Assessment, and Health Outcomes Using Real-World Data and Physicochemical Properties
Sholehrasa, Hossein, Xu, Xuan, Caragea, Doina, Riviere, Jim E., Jaberi-Douraki, Majid
The safe use of pharmaceuticals in food-producing animals is vital to protect animal welfare and human food safety. Adverse events (AEs) may signal unexpected pharmacokinetic or toxicokinetic effects, increasing the risk of violative residues in the food chain. This study introduces a predictive framework for classifying outcomes (Death vs. Recovery) using ~1.28 million reports (1987-2025 Q1) from the U.S. FDA's OpenFDA Center for Veterinary Medicine. A preprocessing pipeline merged relational tables and standardized AEs through VeDDRA ontologies. Data were normalized, missing values imputed, and high-cardinality features reduced; physicochemical drug properties were integrated to capture chemical-residue links. We evaluated supervised models, including Random Forest, CatBoost, XGBoost, ExcelFormer, and large language models (Gemma 3-27B, Phi 3-12B). Class imbalance was addressed, such as undersampling and oversampling, with a focus on prioritizing recall for fatal outcomes. Ensemble methods(Voting, Stacking) and CatBoost performed best, achieving precision, recall, and F1-scores of 0.95. Incorporating Average Uncertainty Margin (AUM)-based pseudo-labeling of uncertain cases improved minority-class detection, particularly in ExcelFormer and XGBoost. Interpretability via SHAP identified biologically plausible predictors, including lung, heart, and bronchial disorders, animal demographics, and drug physicochemical properties. These features were strongly linked to fatal outcomes. Overall, the framework shows that combining rigorous data engineering, advanced machine learning, and explainable AI enables accurate, interpretable predictions of veterinary safety outcomes. The approach supports FARAD's mission by enabling early detection of high-risk drug-event profiles, strengthening residue risk assessment, and informing regulatory and clinical decision-making.
- North America > United States > Kansas > Riley County > Manhattan (0.04)
- North America > United States > Kansas > Johnson County > Olathe (0.04)
- North America > United States > California > San Diego County > San Diego (0.04)
A Theoretical Framework of the Processes of Change in Psychotherapy Delivered by Artificial Agents
Herbener, Arthur Bran, Damholdt, Malene Flensborg
The question of whether artificial agents (e.g., chatbots and social robots) can replace human therapists has received notable attention following the recent launch of large language models. However, little is known about the processes of change in psychotherapy delivered by artificial agents. To facilitate hypothesis development and stimulate scientific debate, the present article offers the first theoretical framework of the processes of change in psychotherapy delivered by artificial agents. The theoretical framework rests upon a conceptual analysis of what active ingredients may be inherently linked to the presence of human therapists. We propose that human therapists' ontological status as human beings and sociocultural status as socially sanctioned healthcare professionals play crucial roles in promoting treatment outcomes. In the absence of the ontological and sociocultural status of human therapists, we propose what we coin the genuineness gap and credibility gap can emerge and undermine key processes of change in psychotherapy. Based on these propositions, we propose avenues for scientific investigations and practical applications aimed at leveraging the strengths of artificial agents and human therapists respectively. We also highlight the intricate agentic nature of artificial agents and discuss how this complicates endeavors to establish universally applicable propositions regarding the processes of change in these interventions.
- Europe > United Kingdom > England > Oxfordshire > Oxford (0.14)
- North America > United States > Maryland > Baltimore (0.04)
- North America > United States > District of Columbia > Washington (0.04)
- (2 more...)
- Research Report > Experimental Study (1.00)
- Research Report > New Finding (0.93)
Rx Strategist: Prescription Verification using LLM Agents System
Van, Phuc Phan, Minh, Dat Nguyen, Ngoc, An Dinh, Thanh, Huy Phan
To protect patient safety, modern pharmaceutical complexity demands strict prescription verification. We offer a new approach - Rx Strategist - that makes use of knowledge graphs and different search strategies to enhance the power of Large Language Models (LLMs) inside an agentic framework. This multifaceted technique allows for a multi-stage LLM pipeline and reliable information retrieval from a custom-built active ingredient database. Different facets of prescription verification, such as indication, dose, and possible drug interactions, are covered in each stage of the pipeline. We alleviate the drawbacks of monolithic LLM techniques by spreading reasoning over these stages, improving correctness and reliability while reducing memory demands. Our findings demonstrate that Rx Strategist surpasses many current LLMs, achieving performance comparable to that of a highly experienced clinical pharmacist. In the complicated world of modern medications, this combination of LLMs with organized knowledge and sophisticated search methods presents a viable avenue for reducing prescription errors and enhancing patient outcomes.
- Health & Medicine > Therapeutic Area > Nephrology (1.00)
- Health & Medicine > Therapeutic Area > Cardiology/Vascular Diseases (1.00)
- Health & Medicine > Pharmaceuticals & Biotechnology (1.00)
- Health & Medicine > Therapeutic Area > Endocrinology > Diabetes (0.47)
US High Court Denies Bayer Bid To Block Roundup Weedkiller Lawsuits
The US Supreme Court on Tuesday declined an appeal from Bayer-owned Monsanto that aimed to challenge thousands of lawsuits claiming its weedkiller Roundup causes cancer -- a potentially costly ruling. The high court did not explain its decision not to take the case, which left intact a $25 million ruling in favor of a California man who alleged he developed cancer after using the chemical for years. The decision marks a major blow to the German conglomerate's legal fight against some 31,000 Roundup-related cases. "Bayer respectfully disagrees with the Supreme Court's decision," the company said in a statement. "The company believes that the decision undermines the ability of companies to rely on official actions taken by expert regulatory agencies," it added, referring to a 2020 federal finding that Roundup's active ingredient is not risky.
- Materials > Chemicals > Agricultural Chemicals (1.00)
- Health & Medicine > Therapeutic Area > Oncology (1.00)
- Food & Agriculture > Agriculture > Pest Control (1.00)
- (2 more...)
Harnessing AI to Discover New Drugs: Rewriting the Rulebook for Pharmaceutical Research
Artificial intelligence (AI) is able to recognize the biological activity of natural products in a targeted manner, as researchers at ETH Zurich have demonstrated. Moreover, AI helps to find molecules that have the same effect as a natural substance but are easier to manufacture. This opens up huge possibilities for drug discovery, which also has potential to rewrite the rulebook for pharmaceutical research. Nature has a vast store of medicinal substances. "Over 50 percent of all drugs today are inspired by nature," says Gisbert Schneider, Professor of Computer- Assisted Drug Design at ETH Zurich.
How Artificial Intelligence is Accelerating Drug Discovery
Artificial Intelligence (AI) is taking over every industry. We've had electricity, we've had the internet, and now, we have AI. The goal of artificial intelligence is to simulate human intelligence using computers. Humans (at least so far) are a lot smarter than computers. We can solve complex problems such as building bridges.
'Hallucination machine' gives drug-free psychedelic trip
A'hallucination machine' that sends your brain on a psychedelic trip without the need for drugs has been developed by scientists. Using Google Artificial Intelligence and a virtual reality headset, the device makes users hallucinate as if they have taken LSD or magic mushrooms. The machine was developed to help researchers better understand how the brain responds to altering realities. Brain scans taken on people using the machine could help determine if our'reality' is just a type of hallucination, the researchers claim. Through a virtual reality headset, the hallucination machine repeatedly shows selected images and patterns, such as a dog (top right) or colourful lines (bottom left) and spirals (bottom right) layered over reality.
Mining for adverse drug events with formal concept analysis
Estacio-Moreno, Alexander, Toussaint, Yannick, Bousquet, Cédric
The pharmacovigilance databases consist of several case reports involving drugs and adverse events (AEs). Some methods are applied consistently to highlight all signals, i.e. all statistically significant associations between a drug and an AE. These methods are appropriate for verification of more complex relationships involving one or several drug(s) and AE(s) (e.g; syndromes or interactions) but do not address the identification of them. We propose a method for the extraction of these relationships based on Formal Concept Analysis (FCA) associated with disproportionality measures. This method identifies all sets of drugs and AEs which are potential signals, syndromes or interactions. Compared to a previous experience of disproportionality analysis without FCA, the addition of FCA was more efficient for identifying false positives related to concomitant drugs.
- North America > United States (0.14)
- Europe > France (0.05)
- Research Report > Experimental Study (0.48)
- Research Report > New Finding (0.34)