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The pharmaceutical industry has experienced increasing costs and sustained high attrition rates in drug development over the last years. One proposal that addresses this challenge from a statistical perspective is the use of quantitative…

Drug discovery is lengthy and expensive, with traditional computer-aided design facing limits. This paper examines integrating quantum computing across the drug development cycle to accelerate and enhance workflows and rigorous…

Clinical trials are pivotal in the drug discovery process to determine the safety and efficacy of a drug candidate. The high failure rates of these trials are attributed to deficiencies in clinical model development and protocol design.…

Quantitative systems pharmacology (QSP) models are increasingly applied to inform decision making across drug development and to support regulatory interactions within model informed drug development (MIDD). QSP supports a broad range of…

Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the challenges and opportunities of applying quantum computers to…

Research and Development is the largest budget position in the pharmaceutical industry, with clinical trials being a critical, yet costly and time-consuming component to inform decisions. Beyond drug efficacy, the probability of success and…

With the general trend towards data-driven decision making (DDDM), organizations are looking for ways to use DDDM to improve their decisions. However, few studies have looked into the practitioners view of DDDM, in particular for agile…

Software Engineering · Computer Science 2019-04-09 Richard Berntsson Svensson , Robert Feldt , Richard Torkar

Quantum decision theory (QDT) is a recently developed theory of decision making based on the mathematics of Hilbert spaces, a framework known in physics for its application to quantum mechanics. This framework formalizes the concept of…

Physics and Society · Physics 2016-12-28 M. Favre , A. Wittwer , H. R. Heinimann , V. I. Yukalov , D. Sornette

The digitization of healthcare presents numerous challenges, including the complexity of biological systems, vast data generation, and the need for personalized treatment plans. Traditional computational methods often fall short, leading to…

Emerging Technologies · Computer Science 2025-07-25 Markus Bertl , Alan Mott , Salvatore Sinno , Bhavika Bhalgamiya

Quantum computing promises substantial speedups by exploiting quantum mechanical phenomena such as superposition and entanglement. Corresponding design methods require efficient means of representation and manipulation of quantum…

Quantum Physics · Physics 2023-11-15 Alwin Zulehner , Stefan Hillmich , Robert Wille

Clinical trials are notorious for their high failure rates and steep costs, leading to wasted time and resources spend, prolonged development timelines, and delayed patient access to new therapies. A key contributor to these failures is…

Quantum Physics · Physics 2026-01-19 Laia Domingo , Christine Johnson

Quantum software represents disruptive technologies in terms of quantum-specific software systems, services, and applications - leverage the principles of quantum mechanics via programmable quantum bits (Qubits) that manipulate quantum…

The goal of a traditional Markov decision process (MDP) is to maximize expected cumulative reward over a defined horizon (possibly infinite). In many applications, however, a decision maker may be interested in optimizing a specific…

Artificial Intelligence · Computer Science 2025-10-16 Xiaocheng Li , Huaiyang Zhong , Margaret L. Brandeau

This paper establishes fundamental results for statistical inference of diagnostic classification models (DCM). The results are developed at a high level of generality, applicable to essentially all diagnostic classification models. In…

Statistics Theory · Mathematics 2025-01-08 Guanhua Fang , Jingchen Liu , Zhiliang Ying

The estimation of uncertainties associated with predictions from quantitative structure-activity relationship (QSAR) models can accelerate the drug discovery process by identifying promising experiments and allowing an efficient allocation…

Machine Learning · Computer Science 2025-02-07 Hannah Rosa Friesacher , Emma Svensson , Susanne Winiwarter , Lewis Mervin , Adam Arany , Ola Engkvist

A dynamic treatment regime is a sequence of decision rules in which each decision rule recommends treatment based on features of patient medical history such as past treatments and outcomes. Existing methods for estimating optimal dynamic…

Methodology · Statistics 2015-05-22 Kristin A. Linn , Eric B. Laber , Leonard A. Stefanski

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…

Medicine, including fields in healthcare and life sciences, has seen a flurry of quantum-related activities and experiments in the last few years (although biology and quantum theory have arguably been entangled ever since Schr\"odinger's…

Quantum Physics · Physics 2023-08-24 Frederik F. Flöther

Risk management often plays an important role in decision making under uncertainty. In quantitative risk management, assessing and optimizing risk metrics requires efficient computing techniques and reliable theoretical guarantees. In this…

Optimization and Control · Mathematics 2026-01-01 Zhaolin Hu
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