SMILES2Docking: An Open‐Source Desktop Workflow for Ligand Ionization, Stereochemistry‐Aware Preparation and Semi‐Empirical 3D Refinement

Daniel Andrés Grajales Ruiz, Bruna Flôres Negrisoli, Isabel Cristina Conceição Periquito, Nailton Monteiro do Nascimento‐Júnior, Adriano Marques Gonçalves

Open source

DOI: 10.1002/minf.70053
Published: 2026-09
Container: Molecular Informatics
Publisher: Wiley
Open access: unknown

Credibility signals

uncertain Score 64/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.

Show all credibility signals

supportingDOI registered: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
supportingDOI resolves: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
not scoredDirectory of Open Access Journals: No matching DOAJ record was present in this response. No allow-list match; this is not evidence of low credibility. Source: DOAJ; license: CC0
not scoredMEDLINE indexed: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredOpenAlex core source: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredKnown publisher allow-list: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredROR affiliation: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch expression of concern: No expression of concern notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch correction: No correction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch reinstatement: No reinstatement notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredOpen access status: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication license: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
supportingMetadata completeness: All 6 scored descriptive metadata groups are present. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer

Cite this work

BibTeX

@article{allodium:10.1002/minf.70053,
  title = {SMILES2Docking: An Open‐Source Desktop Workflow for Ligand Ionization, Stereochemistry‐Aware Preparation and Semi‐Empirical 3D Refinement},
  author = {Daniel Andrés Grajales Ruiz and Bruna Flôres Negrisoli and Isabel Cristina Conceição Periquito and Nailton Monteiro do Nascimento‐Júnior and Adriano Marques Gonçalves},
  year = {2026},
  journal = {Molecular Informatics},
  doi = {10.1002/minf.70053},
  url = {https://doi.org/10.1002/minf.70053}
}

RIS

TY  - JOUR
TI  - SMILES2Docking: An Open‐Source Desktop Workflow for Ligand Ionization, Stereochemistry‐Aware Preparation and Semi‐Empirical 3D Refinement
AU  - Daniel Andrés Grajales Ruiz
AU  - Bruna Flôres Negrisoli
AU  - Isabel Cristina Conceição Periquito
AU  - Nailton Monteiro do Nascimento‐Júnior
AU  - Adriano Marques Gonçalves
PY  - 2026
JO  - Molecular Informatics
DO  - 10.1002/minf.70053
UR  - https://doi.org/10.1002/minf.70053
ER  -

APA

Ruiz, D. A. G., Negrisoli, B. F., Periquito, I. C. C., Nascimento‐Júnior, N. M. D., & Gonçalves, A. M. (2026). SMILES2Docking: An Open‐Source Desktop Workflow for Ligand Ionization, Stereochemistry‐Aware Preparation and Semi‐Empirical 3D Refinement. Molecular Informatics. https://doi.org/10.1002/minf.70053

Source records

crossref · retrieved 2026-09-25T03:12:31.501Z