
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:
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization
Phani Ghanakota, Pieter H. Bos, Kyle D. Konze, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4311-4325
Open Access | Times Cited: 44
Phani Ghanakota, Pieter H. Bos, Kyle D. Konze, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4311-4325
Open Access | Times Cited: 44
Showing 1-25 of 44 citing articles:
De novo molecular design and generative models
Joshua Meyers, Benedek Fabian, Nathan Brown
Drug Discovery Today (2021) Vol. 26, Iss. 11, pp. 2707-2715
Open Access | Times Cited: 220
Joshua Meyers, Benedek Fabian, Nathan Brown
Drug Discovery Today (2021) Vol. 26, Iss. 11, pp. 2707-2715
Open Access | Times Cited: 220
Exploration of Ultralarge Compound Collections for Drug Discovery
Wendy A. Warr, Marc C. Nicklaus, Christos A. Nicolaou, et al.
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 9, pp. 2021-2034
Closed Access | Times Cited: 121
Wendy A. Warr, Marc C. Nicklaus, Christos A. Nicolaou, et al.
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 9, pp. 2021-2034
Closed Access | Times Cited: 121
Integrating structure-based approaches in generative molecular design
Morgan Thomas, Andreas Bender, Chris de Graaf
Current Opinion in Structural Biology (2023) Vol. 79, pp. 102559-102559
Open Access | Times Cited: 43
Morgan Thomas, Andreas Bender, Chris de Graaf
Current Opinion in Structural Biology (2023) Vol. 79, pp. 102559-102559
Open Access | Times Cited: 43
Accelerating high-throughput virtual screening through molecular pool-based active learning
David Graff, Eugene I. Shakhnovich, Connor W. Coley
Chemical Science (2021) Vol. 12, Iss. 22, pp. 7866-7881
Open Access | Times Cited: 95
David Graff, Eugene I. Shakhnovich, Connor W. Coley
Chemical Science (2021) Vol. 12, Iss. 22, pp. 7866-7881
Open Access | Times Cited: 95
Towards chemical accuracy for alchemical free energy calculations with hybrid physics-based machine learning / molecular mechanics potentials
Dominic A. Rufa, Hannah E. Bruce Macdonald, Josh Fass, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2020)
Open Access | Times Cited: 88
Dominic A. Rufa, Hannah E. Bruce Macdonald, Josh Fass, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2020)
Open Access | Times Cited: 88
From computer-aided drug discovery to computer-driven drug discovery
Leah L. Frye, Sathesh Bhat, Karen Akinsanya, et al.
Drug Discovery Today Technologies (2021) Vol. 39, pp. 111-117
Closed Access | Times Cited: 64
Leah L. Frye, Sathesh Bhat, Karen Akinsanya, et al.
Drug Discovery Today Technologies (2021) Vol. 39, pp. 111-117
Closed Access | Times Cited: 64
Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study
Morgan Thomas, R T Smith, N.M. O'Boyle, et al.
Journal of Cheminformatics (2021) Vol. 13, Iss. 1
Open Access | Times Cited: 62
Morgan Thomas, R T Smith, N.M. O'Boyle, et al.
Journal of Cheminformatics (2021) Vol. 13, Iss. 1
Open Access | Times Cited: 62
Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction
Rohan Gorantla, Alžbeta Kubincová, Benjamin S. Suutari, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 6, pp. 1955-1965
Open Access | Times Cited: 14
Rohan Gorantla, Alžbeta Kubincová, Benjamin S. Suutari, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 6, pp. 1955-1965
Open Access | Times Cited: 14
A Cloud Computing Platform for Scalable Relative and Absolute Binding Free Energy Predictions: New Opportunities and Challenges for Drug Discovery
Zhixiong Lin, Junjie Zou, Shuai Liu, et al.
Journal of Chemical Information and Modeling (2021) Vol. 61, Iss. 6, pp. 2720-2732
Closed Access | Times Cited: 44
Zhixiong Lin, Junjie Zou, Shuai Liu, et al.
Journal of Chemical Information and Modeling (2021) Vol. 61, Iss. 6, pp. 2720-2732
Closed Access | Times Cited: 44
Data-Driven Design and Autonomous Experimentation in Soft and Biological Materials Engineering
Andrew L. Ferguson, Keith A. Brown
Annual Review of Chemical and Biomolecular Engineering (2022) Vol. 13, Iss. 1, pp. 25-44
Open Access | Times Cited: 30
Andrew L. Ferguson, Keith A. Brown
Annual Review of Chemical and Biomolecular Engineering (2022) Vol. 13, Iss. 1, pp. 25-44
Open Access | Times Cited: 30
Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations
H. Shaun Kwak, Yuling An, David J. Giesen, et al.
Frontiers in Chemistry (2022) Vol. 9
Open Access | Times Cited: 29
H. Shaun Kwak, Yuling An, David J. Giesen, et al.
Frontiers in Chemistry (2022) Vol. 9
Open Access | Times Cited: 29
The present state and challenges of active learning in drug discovery
Lei Wang, Zhenran Zhou, Xixi Yang, et al.
Drug Discovery Today (2024) Vol. 29, Iss. 6, pp. 103985-103985
Closed Access | Times Cited: 8
Lei Wang, Zhenran Zhou, Xixi Yang, et al.
Drug Discovery Today (2024) Vol. 29, Iss. 6, pp. 103985-103985
Closed Access | Times Cited: 8
Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery
Runtong Qian, Jing Xue, You Xu, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 19, pp. 7214-7237
Closed Access | Times Cited: 8
Runtong Qian, Jing Xue, You Xu, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 19, pp. 7214-7237
Closed Access | Times Cited: 8
Exhaustive local chemical space exploration using a transformer model
Alessandro Tibo, Jiazhen He, Jon Paul Janet, et al.
Nature Communications (2024) Vol. 15, Iss. 1
Open Access | Times Cited: 6
Alessandro Tibo, Jiazhen He, Jon Paul Janet, et al.
Nature Communications (2024) Vol. 15, Iss. 1
Open Access | Times Cited: 6
New Trends in Virtual Screening
W. Patrick Walters, Renxiao Wang
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4109-4111
Closed Access | Times Cited: 50
W. Patrick Walters, Renxiao Wang
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4109-4111
Closed Access | Times Cited: 50
Docking-based generative approaches in the search for new drug candidates
Tomasz Danel, Jan Łȩski, Sabina Podlewska, et al.
Drug Discovery Today (2022) Vol. 28, Iss. 2, pp. 103439-103439
Open Access | Times Cited: 28
Tomasz Danel, Jan Łȩski, Sabina Podlewska, et al.
Drug Discovery Today (2022) Vol. 28, Iss. 2, pp. 103439-103439
Open Access | Times Cited: 28
On the Value of Using 3D Shape and Electrostatic Similarities in Deep Generative Methods
Giovanni Bolcato, Esther Heid, Jonas Boström
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 6, pp. 1388-1398
Open Access | Times Cited: 23
Giovanni Bolcato, Esther Heid, Jonas Boström
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 6, pp. 1388-1398
Open Access | Times Cited: 23
AutoDesigner, a De Novo Design Algorithm for Rapidly Exploring Large Chemical Space for Lead Optimization: Application to the Design and Synthesis of d -Amino Acid Oxidase Inhibitors
Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, et al.
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 8, pp. 1905-1915
Closed Access | Times Cited: 23
Pieter H. Bos, Evelyne M. Houang, Fabio Ranalli, et al.
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 8, pp. 1905-1915
Closed Access | Times Cited: 23
Industrializing AI/ML during the end-to-end drug discovery process
Jiho Yoo, Tae Yong Kim, InSuk Joung, et al.
Current Opinion in Structural Biology (2023) Vol. 79, pp. 102528-102528
Open Access | Times Cited: 15
Jiho Yoo, Tae Yong Kim, InSuk Joung, et al.
Current Opinion in Structural Biology (2023) Vol. 79, pp. 102528-102528
Open Access | Times Cited: 15
In silico drug discovery: a machine learning-driven systematic review
Sema Atasever
Medicinal Chemistry Research (2024)
Closed Access | Times Cited: 5
Sema Atasever
Medicinal Chemistry Research (2024)
Closed Access | Times Cited: 5
Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation
Morgan Thomas, N.M. O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics (2022) Vol. 14, Iss. 1
Open Access | Times Cited: 21
Morgan Thomas, N.M. O'Boyle, Andreas Bender, et al.
Journal of Cheminformatics (2022) Vol. 14, Iss. 1
Open Access | Times Cited: 21
Can We Quickly Learn to “Translate” Bioactive Molecules with Transformer Models?
Emma Tysinger, K. Brajesh, Anton V. Sinitskiy
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 6, pp. 1734-1744
Closed Access | Times Cited: 12
Emma Tysinger, K. Brajesh, Anton V. Sinitskiy
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 6, pp. 1734-1744
Closed Access | Times Cited: 12
Actively Searching: Inverse Design of Novel Molecules with Simultaneously Optimized Properties
Nicolae C. Iovanac, Robert MacKnight, Brett M. Savoie
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 2, pp. 333-340
Closed Access | Times Cited: 18
Nicolae C. Iovanac, Robert MacKnight, Brett M. Savoie
The Journal of Physical Chemistry A (2022) Vol. 126, Iss. 2, pp. 333-340
Closed Access | Times Cited: 18
Structure and dynamics in drug discovery
Haixin Wei, J. Andrew McCammon
npj Drug Discovery. (2024) Vol. 1, Iss. 1
Open Access | Times Cited: 3
Haixin Wei, J. Andrew McCammon
npj Drug Discovery. (2024) Vol. 1, Iss. 1
Open Access | Times Cited: 3
Use of Free Energy Methods in the Drug Discovery Industry
Katharina Meier, Joseph P. Bluck, Clara D. Christ
ACS symposium series (2021), pp. 39-66
Closed Access | Times Cited: 21
Katharina Meier, Joseph P. Bluck, Clara D. Christ
ACS symposium series (2021), pp. 39-66
Closed Access | Times Cited: 21