BetaCitation Atlas

RESEARCH PAPER · Chemical Reviews · 2025

Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries

Anthony M. Smaldone, Yu Shee, Gregory W. Kyro, Chuzhi Xu, Nam P. Vu, Rishab Dutta, Marwa H. Farag, Alexey Galda, Sandeep Kumar, Elica S. Kyoseva, Víctor S. Batista

Read original paper ↗

See where this research leads.

50 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-14 · complete coverage
Filter Citing Papers
Press Enter or comma to add · × to remove · searches titles and available abstracts
Journals
All journals
Most represented first · select one or more
Explore Terms In These PapersHide SuggestionsShow Suggestions

Original and current center papers stay visible as anchors.
Numbers show citations received
42 direct citing works

Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical IndustriesOriginalQuantum–Classical Drug Discovery after the Advantage Claim: Matching Computational Methods to Problems They Can Credibly Solve0Quantum machine learning: A comprehensive review of integrating AI with quantum computing for computational advancements63Artificial intelligence in GPCR drug discovery: A paradigm shift in computational pharmacology0Integrating Quantum Computing into STEM Education via Personalized Learning0Quantum Computing for Genomics: Conceptual Challenges and Practical Perspectives7The Evolving Quest for Chemical Understanding in the Quantum Age3Artificial Intelligence (AI) in Pharmaceutical Formulation and Dosage Calculations32Hybrid Quantum Reservoir Computing for Predicting Binding Affinities0SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style0AI-enabled drug and molecular discovery: computational methods, platforms, and translational horizons27Encoding molecular structures in quantum machine learning0Quantum Machine Learning for Drug Discovery: Taxonomy, Research Challenges, and the Road Ahead1Quantum Computing Reveals Energetics of Tau Peptide Fragments0Machine learning for nanoparticle-based imaging: From rational design to precision diagnosis4After the Quantum Advantage Claim: Which Drug-Discovery Problems Are Actually Ready for Quantum Computation?0Antibacterial drug discovery: challenges and preclinical promises from synthetic small molecules1Designing Biologics with Quantum AI0Ethical, Regulatory, and Societal Dimensions in Quantum AI0From data to catalysis: advances and prospects of machine learning-driven electrocatalytic CO 2 reduction3Quantum medicine: A quantum–mechanical framework for redox biology, disease and precision medicine4Quantum simulation of CO2 chemisorption in an amine-functionalized metal–organic framework2Quantum Simulation of Telomerase Activity in Cancer Cells: A New Frontier for Protein Target Discovery0Revolutionizing Drug Discovery and Biomedical Research Through Quantum Machine Learning: Paving the Path to Precision Healthcare0Small Molecule Drug Discovery Enhanced by Quantum AI0Arcface-Integrated Max Feature Map CNN for Robust Face Recognition0Encoding Chemical Intelligence: A Sustainable Multi-Objective Drug Prediction and Optimization Using Quantum_D-CART Method0QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design0EAQAS: Embedding-Aware Quantum Architecture Search via cross-attention fusion and hierarchical representation learning0Thioether-linked 1,8-naphthalimide-based dipodal probe for cascade detection of Au3+ and SCN− in aqueous media and molecular logic gate nanoarchitectonics0From Artificial Intelligence to Quantum Computing: Promise and Prudence in the Field of Cardiovascular Medicine0Artificial Intelligence as a Disruptive Force in Pharmaceutical Innovation: Transforming Discovery, Development, and Manufacturing8Quantum-classical generative models for drug design7Multimodal cultural heritage image recognition based on quantum and classical multimodal fusion network0Bridging Realms: Artificial Intelligence Integrates Omics, Generative Models, and Traditional Medicine for Anticancer Drug Innovation2Harnessing Quantum Technologies for Safer Workplaces: A Transformative Paradigm in Occupational Safety and Health0SRMMP-CharQM, Physics-Informed Deep Learning for Toxicity Prediction: Quantum Mechanical Descriptors Enable Scaffold Hopping in Mitochondrial Membrane Potential Assays0Ionic liquids and deep eutectic solvents: Recent advances in the stabilization and functionalization of nucleic acid biopharmaceuticals0Megatrends in Biomedical AI for Health Care From Data Foundations to Clinical Deployment0Stimuli-responsive quantum-engineered polymeric networks: From molecular design and scalable manufacturing to high performance cargo loading systems0Intelligent X-ray Spectroscopy through Machine Learning for Energy Materials Discovery and Characterization0Quantum Machine Learning for IoT: Trends, Challenges, and Technology Readiness0Balancing optimism versus potential risks of AI-driven drug discovery0Accelerating Molecular Generation with Structure-Aware Quantum Diffusion Models0Quantum computing-driven evolution of drug discovery paradigms0Quantum kernel-based delta (Δ)-learning for correcting a semiempirical method in the prediction of reaction barrier heights0Artificial intelligence in healthcare and drug discovery: A scoping review of current trends, challenges, and future directions0The Evolution of Generative Chemistry in Medicinal Chemistry0Non-Hermitian quantum reservoir computing0Quantum Value Equation: A Minimal Decision Model for Quantum-Assisted Oncology Drug Discovery Assessment0From artificial intelligence promise to translational practice in drug discovery: Reproducibility, validation and evidence-based implementation0

Arrows point to the paper being cited. Selecting a paper shows its incoming citations and its known path back to the original paper.

Drag to pan · Use + / − to zoom · Escape to close43 nodes / 53 citation links
Browse Matching Papers

Papers that cite this work

50 direct citing papers saved.

  1. Quantum–Classical Drug Discovery after the Advantage Claim: Matching Computational Methods to Problems They Can Credibly Solve

    Pharmacophore · 2025-01-01

    David Thompson, Sarah Mitchell, Rachel Adams, James Brown

    Read original paper ↗ ·

  2. Quantum machine learning: A comprehensive review of integrating AI with quantum computing for computational advancements

    MethodsX · 2025-04-18

    Raghavendra M Devadas, T Sowmya

    Read original paper ↗ ·

  3. Artificial intelligence in GPCR drug discovery: A paradigm shift in computational pharmacology

    Elsevier eBooks · 2025-09-05

    Adrijana Vinter, Ivan Grgičević

    Read original paper ↗ ·

  4. Integrating Quantum Computing into STEM Education via Personalized Learning

    Unknown journal · 2025-09-15

    Oluwatoyin Akinbi, Mozhgan Nora Entekhabi, Hongmei Chi

    Read original paper ↗ ·

  5. Quantum Computing for Genomics: Conceptual Challenges and Practical Perspectives

    PRX Life · 2025-10-01

    Aurora Maurizio, Guglielmo Mazzola

    Read original paper ↗ ·

  6. The Evolving Quest for Chemical Understanding in the Quantum Age

    Journal of Chemical Theory and Computation · 2025-10-09

    Shubin Liu

    Read original paper ↗ ·

  7. Artificial Intelligence (AI) in Pharmaceutical Formulation and Dosage Calculations

    Pharmaceutics · 2025-11-07

    Sameer Joshi, Sandeep Sheth

    Read original paper ↗ ·

  8. Hybrid Quantum Reservoir Computing for Predicting Binding Affinities

    Unknown journal · 2025-12-09

    Advith Desu, A K Prabhakar

    Read original paper ↗ ·

  9. SLICE (SMARTS and Logic In ChEmistry): fast generation of molecules using advanced chemical synthesis logic and modern coding style

    Journal of Cheminformatics · 2025-12-09

    Stefi Nouleho Ilemo, Victorien Delannée, Olga Grushin, Philip Neville Judson, Hitesh Patel, Marc C. Nicklaus, Nadya I. Tarasova

    Read original paper ↗ ·

  10. AI-enabled drug and molecular discovery: computational methods, platforms, and translational horizons

    Discover Molecules · 2025-12-12

    Aditya Pathak, Radhika Theagarajan, Muhammad Miftakhur Rizqi, Ari Satia Nugraha, Tridip Boruah, Pratiksha, Himanshu Kumar, Bindu Naik, Shweta Yadav, Avinash Kumar Jha, Ankur Trivedi, Arun Kumar Gupta, Pankaj Kumar

    Read original paper ↗ ·

  11. Encoding molecular structures in quantum machine learning

    Machine Learning Science and Technology · 2025-12-22

    Choy Boy, Edoardo Altamura, Dilhan Manawadu, Ivano Tavernelli, Stefano Mensa, David J Wales

    Read original paper ↗ ·

  12. Quantum Machine Learning for Drug Discovery: Taxonomy, Research Challenges, and the Road Ahead

    ACM Computing Surveys · 2025-12-22

    Yen H. P. Duong, Syed Muhammad Abuzar Rizvi, B. D. E. McNiven, Tuan Thanh Nguyen, Hyundong Shin, Octavia A. Dobre, Trung Q. Duong

    Read original paper ↗ ·

  13. Quantum Computing Reveals Energetics of Tau Peptide Fragments

    bioRxiv (Cold Spring Harbor Laboratory) · 2025-12-23

    Anuj Guruacharya, Binita Rajbanshi

    Read original paper ↗ ·

  14. Machine learning for nanoparticle-based imaging: From rational design to precision diagnosis

    Advances in Colloid and Interface Science · 2025-12-30

    Nan Kang, Zengyue Li, Fu Tan, Zimei Liu, Yao Yang, Xiaoqing Qian, Qian Zhang

    Read original paper ↗ ·

  15. After the Quantum Advantage Claim: Which Drug-Discovery Problems Are Actually Ready for Quantum Computation?

    Pharmacophore · 2026-01-01

    Lucas Meyer, Anna Schmid, Stefan Braun, Laura Keller

    Read original paper ↗ ·

  16. Antibacterial drug discovery: challenges and preclinical promises from synthetic small molecules

    Chemical Society Reviews · 2026-01-01

    Guilherme Fernandes, Seong‐Heun Kim, Jean Leandro dos Santos, Yuhang Wang, Christelle Soudy, Joanna M. Redmond, Daniele Castagnolo, Matthew H. Todd

    Read original paper ↗ ·

  17. Designing Biologics with Quantum AI

    Springer eBooks · 2026-01-01

    Md Zahirul Islam Khan, Nuruzzaman Sojib, Mazharul Karim, Don Roosan

    Read original paper ↗ ·

  18. Ethical, Regulatory, and Societal Dimensions in Quantum AI

    Springer eBooks · 2026-01-01

    Hasiba Roosan, Fahmida Hai, Hasibul Haque Khan

    Read original paper ↗ ·

  19. From data to catalysis: advances and prospects of machine learning-driven electrocatalytic CO 2 reduction

    Green Chemistry · 2026-01-01

    Xixue He, MA Ruoxin, Z ZHANG, L D Zhang, J H Li, Yan Wei, Xu Hao

    Read original paper ↗ ·

  20. Quantum medicine: A quantum–mechanical framework for redox biology, disease and precision medicine

    Clinical and Translational Medicine · 2026-01-01

    Ji‐Yong Sung, Jae‐Ho Cheong

    Read original paper ↗ ·

  21. Quantum simulation of CO2 chemisorption in an amine-functionalized metal–organic framework

    AIP Advances · 2026-01-01

    Jonathan R. Owens, Marwa H. Farag, Pooja Rao, Annarita Giani

    Read original paper ↗ ·

  22. Quantum Simulation of Telomerase Activity in Cancer Cells: A New Frontier for Protein Target Discovery

    Springer eBooks · 2026-01-01

    Don Roosan, Rubayat Islam Khan

    Read original paper ↗ ·

  23. Revolutionizing Drug Discovery and Biomedical Research Through Quantum Machine Learning: Paving the Path to Precision Healthcare

    Studies in big data · 2026-01-01

    Neetu Ramesh Amlani, S A Deshpande, Shraddha Doye, Omprakash Chandraka

    Read original paper ↗ ·

  24. Small Molecule Drug Discovery Enhanced by Quantum AI

    Springer eBooks · 2026-01-01

    Mazharul Karim, Nuruzzaman Sojib, Md Zahirul Islam Khan, Don Roosan

    Read original paper ↗ ·

  25. Arcface-Integrated Max Feature Map CNN for Robust Face Recognition

    International Conference on Ubiquitous Information Management and Communication (IMCOM) · 2026-01-04

    Halimahtul Wildan, Muhammad Zarlis

    Read original paper ↗ ·

  26. Encoding Chemical Intelligence: A Sustainable Multi-Objective Drug Prediction and Optimization Using Quantum_D-CART Method

    International Conference on Mobile Computing and Sustainable Informatics (ICMCSI) · 2026-01-07

    J.Vishnu Kannan, N. Deepa, Devi. T

    Read original paper ↗ ·

  27. QO-BRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design

    Journal of Chemical Theory and Computation · 2026-02-03

    Yue Yu, Francesco Calcagno, Haote Li, Víctor S. Batista

    Read original paper ↗ ·

  28. EAQAS: Embedding-Aware Quantum Architecture Search via cross-attention fusion and hierarchical representation learning

    EPJ Quantum Technology · 2026-02-18

    Jiawen Dai, Jialiang Gu, Raymond H. Ho, Gary Man-Tat Man, Kwok Tai Chui, Kevin Hung

    Read original paper ↗ ·

  29. Thioether-linked 1,8-naphthalimide-based dipodal probe for cascade detection of Au3+ and SCN− in aqueous media and molecular logic gate nanoarchitectonics

    Dyes and Pigments · 2026-02-20

    Ashwani Kumar, Youngwoo Noh, Pil Seok Chae

    Read original paper ↗ ·

  30. From Artificial Intelligence to Quantum Computing: Promise and Prudence in the Field of Cardiovascular Medicine

    Journal of the American Heart Association · 2026-02-24

    Mohammed Ayyad, Eugene J. Kim, Joseph Allencherril

    Read original paper ↗ ·

  31. Artificial Intelligence as a Disruptive Force in Pharmaceutical Innovation: Transforming Discovery, Development, and Manufacturing

    Drug Design Development and Therapy · 2026-03-01

    Yedi Herdiana, Ahmed Mohammed, Angga Prawira Kautsar, Iyan Sopyan, Nasrul Wathoni

    Read original paper ↗ ·

  32. Quantum-classical generative models for drug design

    Quantum Machine Intelligence · 2026-03-16

    Prateek Jain, Param Pathak, Krishna Bhatia, Shalini Devendrababu, Srinjoy Ganguly

    Read original paper ↗ ·

  33. Multimodal cultural heritage image recognition based on quantum and classical multimodal fusion network

    npj Heritage Science · 2026-03-17

    Tao Fan, Hao Wang, Yuan Zhao, Shu Zhou

    Read original paper ↗ ·

  34. Bridging Realms: Artificial Intelligence Integrates Omics, Generative Models, and Traditional Medicine for Anticancer Drug Innovation

    Journal of Pharmaceutical Analysis · 2026-04-01

    Jun Li, Yang Li, Tian Xie

    Read original paper ↗ ·

  35. Harnessing Quantum Technologies for Safer Workplaces: A Transformative Paradigm in Occupational Safety and Health

    Indian Journal of Occupational and Environmental Medicine · 2026-04-01

    G. Avinash, SukhDev Mishra

    Read original paper ↗ ·

  36. SRMMP-CharQM, Physics-Informed Deep Learning for Toxicity Prediction: Quantum Mechanical Descriptors Enable Scaffold Hopping in Mitochondrial Membrane Potential Assays

    The Journal of Physical Chemistry B · 2026-04-08

    Qizheng He, Fengfei Yi, Weiwei Han

    Read original paper ↗ ·

  37. Ionic liquids and deep eutectic solvents: Recent advances in the stabilization and functionalization of nucleic acid biopharmaceuticals

    Journal of Ionic Liquids · 2026-04-15

    Nathalia Vieira Porphirio Veríssimo, Mara G. Freire, Jorge F. B. Pereira

    Read original paper ↗ ·

  38. Megatrends in Biomedical AI for Health Care From Data Foundations to Clinical Deployment

    Computer · 2026-05-29

    J. Ben Tamo, Micky C. Nnamdi, Benoit Louis Marteau, S. Wang, Wenqi Shi, Yasemin M. Akay, Metin Akay, May Dongmei Wang

    Read original paper ↗ ·

  39. Stimuli-responsive quantum-engineered polymeric networks: From molecular design and scalable manufacturing to high performance cargo loading systems

    iPharma · 2026-05-30

    Trilochan Satapathy, Om Chandrakar, Abhisek Satapathy, Poonam Sahu, Kamlesh Sahu, Gopendra Patel, Abinash Satapathy

    Read original paper ↗ ·

  40. Intelligent X-ray Spectroscopy through Machine Learning for Energy Materials Discovery and Characterization

    Green Energy & Environment · 2026-06-01

    Xue Kong, Faiza Meharban, Lei Tan, Jingsan Xu, Xiaotong Wu, Chao Lin, Shuangqiang Chen, Zheng Jiang, Xiaopeng Li, Wei Luo

    Read original paper ↗ ·

  41. Quantum Machine Learning for IoT: Trends, Challenges, and Technology Readiness

    IEEE Internet of Things Journal · 2026-06-09

    Chirag Sharma, Kashvi Sood, Sandeep K. Sood

    Read original paper ↗ ·

  42. Balancing optimism versus potential risks of AI-driven drug discovery

    Expert Opinion on Drug Discovery · 2026-06-18

    Jonathan D. Hirst

    Read original paper ↗ ·

  43. Accelerating Molecular Generation with Structure-Aware Quantum Diffusion Models

    Asia Conference on Machine Learning and Computing (ACMLC) · 2026-07-01

    Zisen Shan, Lianghong Chen, Pingzhao Hu

    Read original paper ↗ ·

  44. Quantum computing-driven evolution of drug discovery paradigms

    Chinese Science Bulletin (Chinese Version) · 2026-07-01

    Lu Han, Zhipeng Ke, Liying Liu, Liang Cao, Zhenzhong Wang, Xinzhuang Zhang, Wenxia Zhou, Wei Xiao

    Read original paper ↗ ·

  45. Quantum kernel-based delta (Δ)-learning for correcting a semiempirical method in the prediction of reaction barrier heights

    The Journal of Chemical Physics · 2026-07-16

    Armaan Kautish, Ashwin Sivakumar, Viki Kumar Prasad

    Read original paper ↗ ·

  46. Artificial intelligence in healthcare and drug discovery: A scoping review of current trends, challenges, and future directions

    Intelligence-Based Medicine · 2026-07-25

    Esmaeil Shakeri, Behrouz H. Far

    Read original paper ↗ ·

  47. The Evolution of Generative Chemistry in Medicinal Chemistry

    ChemistrySelect · 2026-08-01

    Rania Ehab Koshty, Manar Ahmed Shehata, Ahmed M. Gab Allah, Mohamed Bakr Zaki, Yaseen A. M. M. Elshaier

    Read original paper ↗ ·

  48. Non-Hermitian quantum reservoir computing

    Quantum Science and Technology · 2026-08-17

    Lu‐Fan Zhang, Yusen Wu, Yong‐Pan Gao, Chuan Xi Wang

    Read original paper ↗ ·

  49. Quantum Value Equation: A Minimal Decision Model for Quantum-Assisted Oncology Drug Discovery Assessment

    International Conference on Advanced Computer Information Technologies (ACIT) · 2026-09-01

    Bartosz Szczęsny, Wiesława Gryncewicz

    Read original paper ↗ ·

  50. From artificial intelligence promise to translational practice in drug discovery: Reproducibility, validation and evidence-based implementation

    Drug Discovery Today · 2026-10-01

    Amit Gangwal, Antonio Lavecchia

    Read original paper ↗ ·
Citation Atlas · A map of research, not a ranking.