
OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!
If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.
Requested Article:
Exposing the Limitations of Molecular Machine Learning with Activity Cliffs
Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 23, pp. 5938-5951
Open Access | Times Cited: 116
Derek van Tilborg, Alisa Alenicheva, Francesca Grisoni
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 23, pp. 5938-5951
Open Access | Times Cited: 116
Showing 76-100 of 116 citing articles:
Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No)
Vishwesh Venkatraman, Jeremiah Gaiser, Daphne Demekas, et al.
Pharmaceuticals (2024) Vol. 17, Iss. 8, pp. 992-992
Open Access | Times Cited: 2
Vishwesh Venkatraman, Jeremiah Gaiser, Daphne Demekas, et al.
Pharmaceuticals (2024) Vol. 17, Iss. 8, pp. 992-992
Open Access | Times Cited: 2
Machine learning for predicting separation factors of chiral diphosphine ligands in chiral extraction of amino acid and mandelic acid enantiomers
Yingzi Peng, Wei Zhou, Xiaoliang Cao, et al.
Separation and Purification Technology (2024) Vol. 355, pp. 129797-129797
Closed Access | Times Cited: 2
Yingzi Peng, Wei Zhou, Xiaoliang Cao, et al.
Separation and Purification Technology (2024) Vol. 355, pp. 129797-129797
Closed Access | Times Cited: 2
Machine learning-assisted identification of environmental pollutants by liquid chromatography coupled with high-resolution mass spectrometry
Haotian Wang, Laijin Zhong, Wenyuan Su, et al.
TrAC Trends in Analytical Chemistry (2024), pp. 117988-117988
Closed Access | Times Cited: 2
Haotian Wang, Laijin Zhong, Wenyuan Su, et al.
TrAC Trends in Analytical Chemistry (2024), pp. 117988-117988
Closed Access | Times Cited: 2
pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 16, pp. 5066-5076
Closed Access | Times Cited: 6
Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 16, pp. 5066-5076
Closed Access | Times Cited: 6
Limitations of representation learning in small molecule property prediction
Ana Laura Dias, Latimah Bustillo, Tiago Rodrigues
Nature Communications (2023) Vol. 14, Iss. 1
Open Access | Times Cited: 6
Ana Laura Dias, Latimah Bustillo, Tiago Rodrigues
Nature Communications (2023) Vol. 14, Iss. 1
Open Access | Times Cited: 6
Explaining compound activity predictions with a substructure-aware loss for graph neural networks
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna
Journal of Cheminformatics (2023) Vol. 15, Iss. 1
Open Access | Times Cited: 5
Kenza Amara, Raquel Rodríguez-Pérez, José Jiménez-Luna
Journal of Cheminformatics (2023) Vol. 15, Iss. 1
Open Access | Times Cited: 5
On the Development of Descriptor-Based Machine Learning Models for Thermodynamic Properties: Part 1—From Data Collection to Model Construction: Understanding of the Methods and Their Effects
Cindy Trinh, Youssef Tbatou, Silvia Lasala, et al.
Processes (2023) Vol. 11, Iss. 12, pp. 3325-3325
Open Access | Times Cited: 5
Cindy Trinh, Youssef Tbatou, Silvia Lasala, et al.
Processes (2023) Vol. 11, Iss. 12, pp. 3325-3325
Open Access | Times Cited: 5
Strategies for improving crop comprehensive benefits via a decision-making system based on machine learning in the rice-rape, rice-wheat and rice-garlic rotation systems in Southwest China
Xinrui Li, Xiafei Li, Tao Liu, et al.
Journal of Integrative Agriculture (2023) Vol. 23, Iss. 9, pp. 2970-2988
Open Access | Times Cited: 4
Xinrui Li, Xiafei Li, Tao Liu, et al.
Journal of Integrative Agriculture (2023) Vol. 23, Iss. 9, pp. 2970-2988
Open Access | Times Cited: 4
Sampling Chemical Space: Activity Cliffs, Extended Similarity, and ML Performance
Kenneth López‐Pérez, Ramón Alain Miranda‐Quintana
(2024)
Open Access | Times Cited: 1
Kenneth López‐Pérez, Ramón Alain Miranda‐Quintana
(2024)
Open Access | Times Cited: 1
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling Tool
Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.
(2024)
Open Access | Times Cited: 1
Helle W. van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.
(2024)
Open Access | Times Cited: 1
Correspondence of fentanyl brain pharmacokinetics and behavior measured via engineering opioids biosensors and computational ethology
Anand K. Muthusamy, Matthew Rosenberg, Charlene H. Kim, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
Anand K. Muthusamy, Matthew Rosenberg, Charlene H. Kim, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
MOL-AE: Auto-Encoder Based Molecular Representation Learning With 3D Cloze Test Objective
Junwei Yang, Kangjie Zheng, Siyu Long, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
Junwei Yang, Kangjie Zheng, Siyu Long, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
Exploring chemical space, scaffold diversity, and activity landscape of spleen tyrosine kinase active inhibitors
Mohd Danishuddin, Md. Zubbair Malik, Mohammad Kashif, et al.
SAR and QSAR in environmental research (2024) Vol. 35, Iss. 4, pp. 325-342
Closed Access | Times Cited: 1
Mohd Danishuddin, Md. Zubbair Malik, Mohammad Kashif, et al.
SAR and QSAR in environmental research (2024) Vol. 35, Iss. 4, pp. 325-342
Closed Access | Times Cited: 1
PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization
Silong Zhai, Yahong Tan, Cheng Zhu, et al.
European Journal of Medicinal Chemistry (2024) Vol. 275, pp. 116628-116628
Closed Access | Times Cited: 1
Silong Zhai, Yahong Tan, Cheng Zhu, et al.
European Journal of Medicinal Chemistry (2024) Vol. 275, pp. 116628-116628
Closed Access | Times Cited: 1
scDrug+: predicting drug-responses using single-cell transcriptomics and molecular structure
Yih-Yun Sun, Chiao-Yu Hsieh, Jian-Hung Wen, et al.
Biomedicine & Pharmacotherapy (2024) Vol. 177, pp. 117070-117070
Open Access | Times Cited: 1
Yih-Yun Sun, Chiao-Yu Hsieh, Jian-Hung Wen, et al.
Biomedicine & Pharmacotherapy (2024) Vol. 177, pp. 117070-117070
Open Access | Times Cited: 1
Developing a Semi-Supervised Approach Using a PU-Learning-Based Data Augmentation Strategy for Multitarget Drug Discovery
Yang Hao, Bo Li, Daiyun Huang, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 15, pp. 8239-8239
Open Access | Times Cited: 1
Yang Hao, Bo Li, Daiyun Huang, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 15, pp. 8239-8239
Open Access | Times Cited: 1
GA-XGBoost, an explainable AI technique, for analysis of thrombin inhibitory activity of diverse pool of molecules and supported by X-ray
Vijay H. Masand, Sami A. Al‐Hussain, Abdullah Yahya Abdullah Alzahrani, et al.
Chemometrics and Intelligent Laboratory Systems (2024) Vol. 253, pp. 105197-105197
Closed Access | Times Cited: 1
Vijay H. Masand, Sami A. Al‐Hussain, Abdullah Yahya Abdullah Alzahrani, et al.
Chemometrics and Intelligent Laboratory Systems (2024) Vol. 253, pp. 105197-105197
Closed Access | Times Cited: 1
Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening
Matheus Müller Pereira da Silva, Isabella Alvim Guedes, Fábio Lima Custódio, et al.
Springer eBooks (2024), pp. 177-221
Closed Access | Times Cited: 1
Matheus Müller Pereira da Silva, Isabella Alvim Guedes, Fábio Lima Custódio, et al.
Springer eBooks (2024), pp. 177-221
Closed Access | Times Cited: 1
Group graph: a molecular graph representation with enhanced performance, efficiency and interpretability
Peipei Cao, Yang He, Ming-Yang Cui, et al.
Journal of Cheminformatics (2024) Vol. 16, Iss. 1
Open Access | Times Cited: 1
Peipei Cao, Yang He, Ming-Yang Cui, et al.
Journal of Cheminformatics (2024) Vol. 16, Iss. 1
Open Access | Times Cited: 1
A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction
Rıza Özçelik, Francesca Grisoni
Digital Discovery (2024)
Open Access | Times Cited: 1
Rıza Özçelik, Francesca Grisoni
Digital Discovery (2024)
Open Access | Times Cited: 1
F-CPI: A Multimodal Deep Learning Approach for Predicting Compound Bioactivity Changes Induced by Fluorine Substitution
Qian Zhang, Wenhai Yin, Xinyao Chen, et al.
Journal of Medicinal Chemistry (2024)
Closed Access | Times Cited: 1
Qian Zhang, Wenhai Yin, Xinyao Chen, et al.
Journal of Medicinal Chemistry (2024)
Closed Access | Times Cited: 1
On QSAR-based cardiotoxicity modeling with the expressiveness-enhanced graph learning model and dual-threshold scheme
Huijia Wang, Guangxian Zhu, Leighton T. Izu, et al.
Frontiers in Physiology (2023) Vol. 14
Open Access | Times Cited: 3
Huijia Wang, Guangxian Zhu, Leighton T. Izu, et al.
Frontiers in Physiology (2023) Vol. 14
Open Access | Times Cited: 3
Machine Learning-Guided Antibody Engineering That Leverages Domain Knowledge To Overcome The Small Data Problem
Thomas A. Clark, Vidya Subramanian, Akila Jayaraman, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2023)
Open Access | Times Cited: 3
Thomas A. Clark, Vidya Subramanian, Akila Jayaraman, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2023)
Open Access | Times Cited: 3
Effectiveness of molecular fingerprints for exploring the chemical space of natural products
Davide Boldini, Davide Ballabio, Viviana Consonni, et al.
(2023)
Open Access | Times Cited: 3
Davide Boldini, Davide Ballabio, Viviana Consonni, et al.
(2023)
Open Access | Times Cited: 3
Chemical language models for de novo drug design: Challenges and opportunities
Francesca Grisoni
(2022)
Open Access | Times Cited: 3
Francesca Grisoni
(2022)
Open Access | Times Cited: 3