ArticleChemical science2019
Delfos: deep learning model for prediction of solvation free energies in generic organic solvents.
Article in Chemical science, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 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.
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Who cites it
13 citing papers in PubMed.
- Multi-Solvent Graph Neural Network for Reduction Potential Prediction Across the Chemical Space.Journal of chemical information and modeling · 2026Article
- A Solvent Selection Framework for Porous Organic Polymers.Journal of chemical information and modeling · 2025Article
- Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies.Chem & bio engineering · 2025Review
- From Implicit to Explicit: An Interaction-Reorganization Approach to Molecular Solvation Energy.Journal of chemical theory and computation · 2024Article
- Enhanced Immune Response Against Echinococcus Granulosus Through a CTLA-4/B7 Affinity-Based Vaccine.Vaccines · 2024Article
- Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy.Journal of chemical information and modeling · 2024Article
- Designing solvent systems using self-evolving solubility databases and graph neural networks.Chemical science · 2024Article
- Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations.RSC advances · 2023Article
- A transfer learning approach for reaction discovery in small data situations using generative model.iScience · 2022Article
- Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning.Journal of chemical information and modeling · 2022Review
- Article
- MLSolvA: solvation free energy prediction from pairwise atomistic interactions by machine learning.Journal of cheminformatics · 2021Article
- SUSSOL-Using Artificial Intelligence for Greener Solvent Selection and Substitution.Molecules (Basel, Switzerland) · 2020Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Prediction of aqueous solubilities or hydration free energies is an extensively studied area in machine learning applications in chemistry since water is the sole solvent in the living system. However, for non-aqueous solutions, few machine learning studies have been undertaken so far despite the fact that the solvation mechanism plays an important role in various chemical reactions. Here, we introduce
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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.