ArticleJournal of computer-aided molecular design2016
The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK
Article in Journal of computer-aided molecular design, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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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
14 citing papers in PubMed, 33 citations in OpenAlex.
- Solvent-Controlled Separation of Integratively Self-Sorted PdAngewandte Chemie (International ed. in English) · 2025Article
- Influence of ionizable lipid tail length on lipid nanoparticle delivery of mRNA of varying length.Journal of biomedical materials research. Part A · 2024Article
- Implementation and Optimization of the Embedded Cluster Reference Interaction Site Model with Atomic Charges.The journal of physical chemistry. A · 2022Article
- SAMPL7 physical property prediction from EC-RISM theory.Journal of computer-aided molecular design · 2021Article
- Evaluation of log P, pKJournal of computer-aided molecular design · 2021Article
- Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?Journal of computer-aided molecular design · 2021Article
- Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet.Journal of chemical theory and computation · 2020Article
- The SAMPL6 challenge on predicting octanol-water partition coefficients from EC-RISM theory.Journal of computer-aided molecular design · 2020Article
- Assessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.Journal of computer-aided molecular design · 2020Article
- pKJournal of molecular modeling · 2019Article
- A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site.PloS one · 2019Article
- The SAMPL6 challenge on predicting aqueous pKJournal of computer-aided molecular design · 2018Article
- Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.Journal of computer-aided molecular design · 2016Article
- SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.Journal of computer-aided molecular design · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors at 4 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We predict cyclohexane-water distribution coefficients (log D
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.