Evidence map›Paper›PMID 42073996›Full record

ReviewInternational journal of molecular sciences2026

Molecular Electrostatic Surface Potential: A Predictive Framework for Noncovalent Interactions and Adsorption Characteristics in Molecular Entities.

Pradeep R Varadwaj, Helder M Marques, Arpita Varadwaj, Ireneusz Grabowski, Koichi Yamashita

Abstract readReview
In one paragraph

Review in International journal of molecular sciences, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Pradeep R VaradwajInstitute of Physics, Faculty of Physics, Astronomy & Informatics, Nicolaus Copernicus University, 87-100 Toruń, Poland.ORCID 0000-0002-7102-3133
Helder M MarquesMolecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Johannesburg 2050, South Africa.ORCID 0000-0003-1675-3835
Arpita VaradwajDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1, Tokyo 113-8656, Japan.ORCID 0000-0001-8779-789X
Ireneusz GrabowskiInstitute of Physics, Faculty of Physics, Astronomy & Informatics, Nicolaus Copernicus University, 87-100 Toruń, Poland.ORCID 0000-0002-5661-5659
Koichi YamashitaDepartment of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1, Tokyo 113-8656, Japan.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The molecular electrostatic surface potential (MESP) has become a key theoretical tool for probing reactivity in chemical systems. It reveals electrophilic and nucleophilic regions on molecular surfaces, underpinning the understanding of noncovalent interactions such as hydrogen, triel, tetrel, pnictogen, chalcogen, halogen, matere, and aerogen bonding, among many others. These interactions, driven by Coulombic attraction, govern aggregation in molecular and supramolecular systems across solid, liquid, and gas phases. MESP applications span crystal engineering, polymers, biology, catalysis, photovoltaics, and drug discovery. While limitations exist-such as the arbitrariness in defining isodensity surfaces-its impact on advancing both theoretical and applied chemical research is substantial. This review outlines the conceptual foundations of MESP and highlights its broad relevance across the chemical sciences.

Indexed as

Static ElectricityAdsorptionCatalysisModels, MolecularSurface Propertiescrystal engineering and catalysisenergy decomposition analysismolecular electrostatic potentialnoncovalent interactionsstructure–property relationshipsσ-hole and π-hole interactions

Identifiers

PMID42073996
PMCPMC13117028

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.