ReviewProceedings. Mathematical, physical, and engineering sciences2018
Control and prediction of the organic solid state: a challenge to theory and experiment
Review in Proceedings. Mathematical, physical, and engineering sciences, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
10 citing papers in PubMed.
- One Size Fits All? Development of the CPOSS209 Data Set of Experimental and Hypothetical Polymorphs for Testing Computational Modeling Methods.Crystal growth & design · 2025Article
- Machine Learning Nucleation Collective Variables with Graph Neural Networks.Journal of chemical theory and computation · 2024Article
- Hybrid and composite materials of organic crystals.Chemical science · 2024Review
- Benchmark Data Set of Crystalline Organic Semiconductors.Journal of chemical theory and computation · 2023Article
- Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization.Crystal growth & design · 2022Article
- Bright Frenkel Excitons in Molecular Crystals: A Survey.Chemistry of materials : a publication of the American Chemical Society · 2021Article
- Interplay between Polymorphism and Isostructurality in the 2-Fur- and 2-Thenaldehyde Semi- and Thiosemicarbazones.Molecules (Basel, Switzerland) · 2020Article
- Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs.The journal of physical chemistry. A · 2020Article
- Charge mobility calculation of organic semiconductors without use of experimental single-crystal data.Scientific reports · 2020Article
- The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation.Molecular simulation · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The ability of theoretical chemists to quantitatively model the weak forces between organic molecules is being exploited to predict their crystal structures and estimate their physical properties. Evolving crystal structure prediction methods are increasingly being used to aid the design of organic functional materials and provide information about thermodynamically plausible polymorphs of speciality organic materials to aid, for example, pharmaceutical development. However, the increasingly sophisticated experimental studies for detecting the range of organic solid-state behaviours provide many challenges for improving quantitative theories that form the basis for the computer modelling. It is challenging to calculate the relative thermodynamic stability of different organic crystal structures, let alone understand the kinetic effects that determine which polymorphs can be observed and are practically important. However, collaborations between experiment and theory are reaching the stage of devising experiments to target the first crystallization of new polymorphs or create novel organic molecular materials.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.