ArticleNature2023
Predicting crystal form stability under real-world conditions.
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In one paragraph
Article in Nature, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
0numbers the graph read from it
0cells of the map it votes in
37citing papers in PubMed
–field-weighted citation impact
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
37 citing papers in PubMed.
- NMR crystallography of the high-pressure form of a multi-component active pharmaceutical ingredient.Chemical science · 2026Article
- Spatially programmed polymorphic crystallization via microenvironment design.Science advances · 2026Article
- Best practices in `0 K' DFT energy calculations on molecular crystal structures.Acta crystallographica. Section C, Structural chemistry · 2026Article
- Hydration control in molecular salts through counterion selection.Nature communications · 2026Article
- Advancing the Frontiers: Contemporary Achievements and Future Directions in Density Functional Theory Calculations.Molecules (Basel, Switzerland) · 2026Article
- Automated Machine Learning Pipeline: Large Language Models-Assisted Automated Data set Generation for Training Machine-Learned Interatomic Potentials.Journal of chemical theory and computation · 2026Article
- Phase diagrams of pharmaceutical solvates from mechanochemistry.Nature communications · 2026Article
- BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs.Crystal growth & design · 2026Article
- A benchmark study of force fields implemented in CSD software.Structural chemistry · 2026Article
- A Conceptual Framework for the Crystallizability of Organic Compounds.Journal of the American Chemical Society · 2025Article
- Predicting the ritonavir crisis by revisiting the polymorph landscape with crystal structure prediction and form 4 structure solution.Communications chemistry · 2025Article
- From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal forms.Chemical science · 2025Article
- Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular Dynamics.Journal of chemical theory and computation · 2025Article
- Genarris 3.0: Generating Close-Packed Molecular Crystal Structures with Rigid Press.Journal of chemical theory and computation · 2025Article
- Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials.Crystal growth & design · 2025Article
- Lattice Energy Partitions in Crystals of Flexible Molecules and the 40% Limit.Journal of the American Chemical Society · 2025Article
- Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules.Nature communications · 2025Article
- Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields.Journal of the American Chemical Society · 2025Article
- Physics-Based Solubility Prediction for Organic Molecules.Chemical reviews · 2025Review
- 3D conformation and crystal interaction insights into drug development challenges for HCV drug analogues via molecular simulations.Communications chemistry · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
24 authors.
Dzmitry FirahaAvant-garde Materials Simulation, Merzhausen, Germany. dzmitry.firaha@avmatsim.eu.ORCID http://orcid.org/0000-0002-6387-0754
Yifei Michelle LiuAvant-garde Materials Simulation, Merzhausen, Germany. yifei.michelle@gmail.com.ORCID http://orcid.org/0000-0002-4705-6664
Jacco van de StreekAvant-garde Materials Simulation, Merzhausen, Germany.ORCID http://orcid.org/0000-0002-3026-4213
Kiran SasikumarAvant-garde Materials Simulation, Merzhausen, Germany.
Hanno DietrichAvant-garde Materials Simulation, Merzhausen, Germany.ORCID http://orcid.org/0000-0003-2622-438X
Julian HelfferichAvant-garde Materials Simulation, Merzhausen, Germany.
Luc AertsUCB Pharma SA, Chemin du Foriest, Braine-l'Alleud, Belgium.
Doris E BraunInstitute of Pharmacy, University of Innsbruck, Innsbruck, Austria.
Anders BrooData Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Mölndal, Sweden.ORCID http://orcid.org/0000-0001-6121-7818
Antonio G DiPasqualeGenentech, South San Francisco, CA, USA.
Alfred Y LeeMerck, Analytical Research & Development, Rahway, NJ, USA.
Sarah Le MeurUCB Pharma SA, Chemin du Foriest, Braine-l'Alleud, Belgium.
Sten O Nilsson LillData Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Mölndal, Sweden.
Walter J LunsmannGRIN Therapeutics, New York, NY, USA.
Alessandra MatteiSolid State Chemistry, Research & Development, AbbVie, North Chicago, IL, USA.
Pierandrea MugliaGRIN Therapeutics, New York, NY, USA.
Okky Dwichandra PutraEarly Product Development and Manufacturing, Pharmaceutical Sciences R&D, AstraZeneca Gothenburg, Mölndal, Sweden.ORCID http://orcid.org/0000-0002-6968-1858
Mohamed RaouiNovartis Pharma, Basel, Switzerland.
Susan M Reutzel-EdensCambridge Crystallographic Data Centre, Cambridge, UK.ORCID http://orcid.org/0000-0003-0806-5565
Sandrine RomeUCB Pharma SA, Chemin du Foriest, Braine-l'Alleud, Belgium.ORCID http://orcid.org/0000-0002-2878-958X
Ahmad Y SheikhSolid State Chemistry, Research & Development, AbbVie, North Chicago, IL, USA.ORCID http://orcid.org/0000-0002-5972-3938
Alexandre TkatchenkoDepartment of Physics and Materials Science, University of Luxembourg, Luxembourg City, Luxembourg.ORCID http://orcid.org/0000-0002-1012-4854
Grahame R WoollamNovartis Pharma, Basel, Switzerland.ORCID http://orcid.org/0000-0003-1417-1583
Marcus A NeumannAvant-garde Materials Simulation, Merzhausen, Germany. marcus.neumann@avmatsim.eu.ORCID http://orcid.org/0000-0003-2857-7488
Funding
Austrian Science Fund FWF T 593Austrian Science Fund FWF V 436
Abstract
The physicochemical properties of molecular crystals, such as solubility, stability, compactability, melting behaviour and bioavailability, depend on their crystal form
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Registered trials
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.