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Artificial intelligence for quantitative modeling in drug discovery and development: an innovation and quality consortium perspective on use cases and best practices
Recent breakthroughs in artificial intelligence (AI) and machine learning (ML) have ushered
in a new era of possibilities across various scientific domains. One area where these …
in a new era of possibilities across various scientific domains. One area where these …
Using machine learning to individualize treatment effect estimation: Challenges and opportunities
The use of data from randomized clinical trials to justify treatment decisions for real‐world
patients is the current state of the art. It relies on the assumption that average treatment …
patients is the current state of the art. It relies on the assumption that average treatment …
Physics-integrated variational autoencoders for robust and interpretable generative modeling
Integrating physics models within machine learning models holds considerable promise
toward learning robust models with improved interpretability and abilities to extrapolate. In …
toward learning robust models with improved interpretability and abilities to extrapolate. In …
A framework for machine learning of model error in dynamical systems
The development of data-informed predictive models for dynamical systems is of
widespread interest in many disciplines. We present a unifying framework for blending …
widespread interest in many disciplines. We present a unifying framework for blending …
A review of mechanistic learning in mathematical oncology
Mechanistic learning refers to the synergistic combination of mechanistic mathematical
modeling and data-driven machine or deep learning. This emerging field finds increasing …
modeling and data-driven machine or deep learning. This emerging field finds increasing …
Medical-informed machine learning: integrating prior knowledge into medical decision systems
Background Clinical medicine offers a promising arena for applying Machine Learning (ML)
models. However, despite numerous studies employing ML in medical data analysis, only a …
models. However, despite numerous studies employing ML in medical data analysis, only a …
[HTML][HTML] Adoption of machine learning in pharmacometrics: an overview of recent implementations and their considerations
A Janssen, FC Bennis, RAA Mathôt - Pharmaceutics, 2022 - mdpi.com
Pharmacometrics is a multidisciplinary field utilizing mathematical models of physiology,
pharmacology, and disease to describe and quantify the interactions between medication …
pharmacology, and disease to describe and quantify the interactions between medication …
Medical informed machine learning: A sco** review and future research directions
Combining domain knowledge (DK) and machine learning is a recent research stream to
overcome multiple issues like limited explainability, lack of data, and insufficient robustness …
overcome multiple issues like limited explainability, lack of data, and insufficient robustness …
Practical guide to SHAP analysis: explaining supervised machine learning model predictions in drug development
AV Ponce‐Bobadilla, V Schmitt… - Clinical and …, 2024 - Wiley Online Library
Despite increasing interest in using Artificial Intelligence (AI) and Machine Learning (ML)
models for drug development, effectively interpreting their predictions remains a challenge …
models for drug development, effectively interpreting their predictions remains a challenge …
Generalization bounds for neural ordinary differential equations and deep residual networks
P Marion - Advances in Neural Information Processing …, 2023 - proceedings.neurips.cc
Neural ordinary differential equations (neural ODEs) are a popular family of continuous-
depth deep learning models. In this work, we consider a large family of parameterized ODEs …
depth deep learning models. In this work, we consider a large family of parameterized ODEs …