January 01, 2025 article Open access A diverse and chemically relevant solvation model benchmark set with flexible molecules and conformer ensembles Chemical Science DOI: 10.1039/d5sc06406f Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 0 stored of 4 References 7 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access HMDB 5.0: the Human Metabolome Database for 2022 2021 Nucleic Acids Research article Biochemistry, Genetics and Molecular Biology Metabolomics and Mass Spectrometry Studies Open access cited by 4 patents 2,693 citations CREST—A program for the exploration of low-energy molecular chemical space 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents 573 citations Towards understanding solvation effects on the conformational entropy of non-rigid molecules 2022 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies 34 citations Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding 2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access 24 citations MolBar: a molecular identifier for inorganic and organic molecules with full support of stereoisomerism 2024 Digital Discovery article Chemistry Chemistry and Stereochemistry Studies Open access cited by 2 patents 14 citations DISSOLVE: Database of ionic solutes’ solvation free energies 2023 Fluid Phase Equilibria article Physics and Astronomy Advanced Chemical Physics Studies 12 citations Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models 2025 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods Open access 11 citations 7 results