Drug discovery with explainable artificial intelligence

1 July 2020

Papers citing "Drug discovery with explainable artificial intelligence"

50 / 100 papers shown

Title
Privacy Risks and Preservation Methods in Explainable Artificial Intelligence: A Scoping Review Sonal Allana Mohan Kankanhalli Rozita Dara 23 0 0 05 May 2025
Addressing Model Overcomplexity in Drug-Drug Interaction Prediction With Molecular Fingerprints Manel Gil-Sorribes Alexis Molina 34 0 0 30 Mar 2025
Logic Explanation of AI Classifiers by Categorical Explaining Functors S. Fioravanti Francesco Giannini Paolo Frazzetto Fabio Zanasi Pietro Barbiero 48 0 0 20 Mar 2025
UniGenX: Unified Generation of Sequence and Structure with Autoregressive Diffusion Gongbo Zhang Y. Li Renqian Luo Pipi Hu Zeru Zhao ... Maik Riechert Li-ming Yuan Lei Chen Haiguang Liu Tao Qin DiffM 36 0 0 09 Mar 2025
Human-centered explanation does not fit all: The interplay of sociotechnical, cognitive, and individual factors in the effect AI explanations in algorithmic decision-making Yongsu Ahn Yu-Ru Lin Malihe Alikhani Eunjeong Cheon 27 0 0 17 Feb 2025
EXAGREE: Towards Explanation Agreement in Explainable Machine Learning Sichao Li Quanling Deng Amanda S. Barnard 25 0 0 04 Nov 2024
Explainable AI needs formal notions of explanation correctness Stefan Haufe Rick Wilming Benedict Clark Rustam Zhumagambetov Danny Panknin Ahcène Boubekki XAI 21 0 0 22 Sep 2024
Towards Symbolic XAI -- Explanation Through Human Understandable Logical Relationships Between Features Thomas Schnake Farnoush Rezaei Jafaria Jonas Lederer Ping Xiong Shinichi Nakajima Stefan Gugler G. Montavon Klaus-Robert Müller 29 1 0 30 Aug 2024
TransMA: an explainable multi-modal deep learning model for predicting properties of ionizable lipid nanoparticles in mRNA delivery Kun Wu Zixu Wang Xiulong Yang Yangyang Chen Zhenqi Han Jialu Zhang Lizhuang Liu 14 0 0 08 Jul 2024
GECOBench: A Gender-Controlled Text Dataset and Benchmark for Quantifying Biases in Explanations Rick Wilming Artur Dox Hjalmar Schulz Marta Oliveira Benedict Clark Stefan Haufe 27 2 0 17 Jun 2024
SynthTree: Co-supervised Local Model Synthesis for Explainable Prediction Evgenii Kuriabov Jia Li 25 0 0 16 Jun 2024
Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space Mohamed Amine Ketata Nicholas Gao Johanna Sommer Tom Wollschlager Stephan Günnemann DiffM 26 1 0 15 Jun 2024
Why do explanations fail? A typology and discussion on failures in XAI Clara Bove Thibault Laugel Marie-Jeanne Lesot C. Tijus Marcin Detyniecki 16 2 0 22 May 2024
What is it for a Machine Learning Model to Have a Capability? Jacqueline Harding Nathaniel Sharadin ELM 20 3 0 14 May 2024
Interpretability Needs a New Paradigm Andreas Madsen Himabindu Lakkaraju Siva Reddy Sarath Chandar 34 4 0 08 May 2024
Strategic Integration of Artificial Intelligence in the C-Suite: The Role of the Chief AI Officer Marc Schmitt 13 1 0 30 Apr 2024
Active Causal Learning for Decoding Chemical Complexities with Targeted Interventions Zachary R Fox Ayana Ghosh AI4CE 19 2 0 05 Apr 2024
Foundation Model for Advancing Healthcare: Challenges, Opportunities, and Future Directions Yuting He Fuxiang Huang Xinrui Jiang Yuxiang Nie Minghao Wang Jiguang Wang Hao Chen LM&MA AI4CE 71 26 0 04 Apr 2024
An Incremental MaxSAT-based Model to Learn Interpretable and Balanced Classification Rules Antônio Carlos Souza Ferreira Júnior Thiago Alves Rocha 11 0 0 25 Mar 2024
How Human-Centered Explainable AI Interface Are Designed and Evaluated: A Systematic Survey Thu Nguyen Alessandro Canossa Jichen Zhu 14 2 0 21 Mar 2024
Infrared Spectra Prediction for Diazo Groups Utilizing a Machine Learning Approach with Structural Attention Mechanism Chengchun Liu Fanyang Mo 14 0 0 05 Feb 2024
Deep Learning for Efficient GWAS Feature Selection Kexuan Li 8 0 0 22 Dec 2023
DiscoBAX: Discovery of Optimal Intervention Sets in Genomic Experiment Design Clare Lyle Arash Mehrjou Pascal Notin Andrew Jesson Stefan Bauer Y. Gal Patrick Schwab 39 10 0 07 Dec 2023
Deployment of a Robust and Explainable Mortality Prediction Model: The COVID-19 Pandemic and Beyond Jacob R. Epifano Stephen Glass Ravichandran Ramachandran Sharad Patel A. Masino Ghulam Rasool 13 0 0 28 Nov 2023
Designing Interpretable ML System to Enhance Trust in Healthcare: A Systematic Review to Proposed Responsible Clinician-AI-Collaboration Framework Elham Nasarian R. Alizadehsani U. Acharya Kwok-Leung Tsui 15 39 0 18 Nov 2023
Generative Explanations for Graph Neural Network: Methods and Evaluations Jialin Chen Kenza Amara Junchi Yu Rex Ying 25 3 0 09 Nov 2023
Proto-lm: A Prototypical Network-Based Framework for Built-in Interpretability in Large Language Models Sean Xie Soroush Vosoughi Saeed Hassanpour 28 3 0 03 Nov 2023
Explainable Artificial Intelligence for Drug Discovery and Development -- A Comprehensive Survey R. Alizadehsani Solomon Sunday Oyelere Sadiq Hussain Rene Ripardo Calixto V. H. C. de Albuquerque M. Roshanzamir Mohamed Rahouti Senthil Kumar Jagatheesaperumal 29 14 0 21 Sep 2023
The role of causality in explainable artificial intelligence Gianluca Carloni Andrea Berti Sara Colantonio CML XAI 40 6 0 18 Sep 2023
A Dual-Perspective Approach to Evaluating Feature Attribution Methods Yawei Li Yanglin Zhang Kenji Kawaguchi Ashkan Khakzar Bernd Bischl Mina Rezaei FAtt XAI 23 0 0 17 Aug 2023
Identifying Explanation Needs of End-users: Applying and Extending the XAI Question Bank Lars Sipos Ulrike Schäfer Katrin Glinka Claudia Muller-Birn 10 4 0 18 Jul 2023
HOPE: High-order Polynomial Expansion of Black-box Neural Networks Tingxiong Xiao Weihang Zhang Yuxiao Cheng J. Suo 11 2 0 17 Jul 2023
Identifying Important Sensory Feedback for Learning Locomotion Skills Wanming Yu Chuanyu Yang C. McGreavy Eleftherios Triantafyllidis Guillaume Bellegarda M. Shafiee A. Ijspeert Zhibin Li 6 15 0 29 Jun 2023
Pushing the Limits of Machine Design: Automated CPU Design with AI Shuyao Cheng Pengwei Jin Qi Guo Zidong Du Rui Zhang ... Xishan Zhang Yuejie Chu W. Mao Tianshi Chen Yunji Chen 33 4 0 21 Jun 2023
Adversarial attacks and defenses in explainable artificial intelligence: A survey Hubert Baniecki P. Biecek AAML 30 61 0 06 Jun 2023
Balancing Exploration and Exploitation: Disentangled $β$ -CVAE in De Novo Drug Design Guang Jun Nicholas Ang Deanne Chin Bingquan Shen 20 0 0 02 Jun 2023
Theoretical Behavior of XAI Methods in the Presence of Suppressor Variables Rick Wilming Leo Kieslich Benedict Clark Stefan Haufe 11 8 0 02 Jun 2023
CongFu: Conditional Graph Fusion for Drug Synergy Prediction Oleksii Tsepa Bohdan Naida Anna Goldenberg Bo Wang 8 1 0 23 May 2023
Uncertainty Quantification in Machine Learning for Engineering Design and Health Prognostics: A Tutorial V. Nemani Luca Biggio Xun Huan Zhen Hu Olga Fink Anh Tran Yan Wang Xiaoge Zhang Chao Hu AI4CE 10 75 0 07 May 2023
Categorical Foundations of Explainable AI: A Unifying Theory Pietro Barbiero S. Fioravanti Francesco Giannini Alberto Tonda Pietro Lio' Elena Di Lavore XAI 6 2 0 27 Apr 2023
Unstructured and structured data: Can we have the best of both worlds with large language models? W. Tan 6 1 0 25 Apr 2023
Quantifying the Benefit of Artificial Intelligence for Scientific Research Jian Gao Dashun Wang 11 5 0 17 Apr 2023
A Comprehensive Survey on Deep Graph Representation Learning Wei Ju Zheng Fang Yiyang Gu Zequn Liu Qingqing Long ... Jingyang Yuan Yusheng Zhao Yifan Wang Xiao Luo Ming Zhang GNN AI4TS 23 139 0 11 Apr 2023
Graph Representation Learning for Interactive Biomolecule Systems Xinye Xiong Bingxin Zhou Yu Guang Wang AI4CE GNN 19 0 0 05 Apr 2023
Distill n' Explain: explaining graph neural networks using simple surrogates Tamara A. Pereira Erik Nasciment Lucas Resck Diego Mesquita Amauri Souza 16 12 0 17 Mar 2023
A Practical Upper Bound for the Worst-Case Attribution Deviations Fan Wang A. Kong AAML 42 4 0 01 Mar 2023
Deep Learning Methods for Small Molecule Drug Discovery: A Survey Wenhao Hu Yingying Liu Xuanyu Chen Wenhao Chai Hangyue Chen Hongwei Wang Gaoang Wang 44 10 0 01 Mar 2023
Knowledge-augmented Graph Machine Learning for Drug Discovery: A Survey from Precision to Interpretability Zhiqiang Zhong A. Barkova Davide Mottin 14 8 0 16 Feb 2023
Silent Vulnerable Dependency Alert Prediction with Vulnerability Key Aspect Explanation Jiamou Sun Zhenchang Xing Qinghua Lu Xiwei Xu Liming Zhu Thong Hoang Dehai Zhao 9 11 0 15 Feb 2023
Two-step interpretable modeling of Intensive Care Acquired Infections Giacomo Lancia Meri Varkila O. Cremer C. Spitoni 10 0 0 26 Jan 2023