Concepedia

Molecular Embedding Spaces

Molecular Embedding Spaces is a mathematical representation framework in chemical space analysis that maps molecular structures into continuous, low-dimensional vector spaces where geometric relationships reflect chemical similarity and functional properties.

7

Publications

218

Citations

25

Authors

15

Institutions

Publications per year

2017–2026

3

Parents

Publications

7

Molecular decompositions and embedding theorems for vector-valued Sobolev spaces with gradient norm

A. Pełczyński, Michał Wojciechowski · Studia Mathematica · 1993 · 52 citations

, , +8

Bidirectional generation of structure and properties through a single molecular foundation model

Jinho Chang, Jong Chul Ye · Nature Communications · 2024 · 51 citations · Full text

, , +14

Chemical-Reaction-Aware Molecule Representation Learning

Hongwei Wang, Weijiang Li, Xiaomeng Jin et al. · arXiv (Cornell University) · 2021 · 35 citations · Full text

, , +17

Solutions to the Quantum QSPR problem in molecular spaces

Ramon Carbó‐Dorca, Sofie Van Damme · Theoretical Chemistry Accounts · 2007 · 26 citations

, , +6

A Quantum-Based Similarity Method in Virtual Screening

Mohammed Mumtaz Al-Dabbagh, Naomie Salim, Mubarak Himmat et al. · Molecules · 2015 · 21 citations · Full text

, , +17

1–5 of 7

Authors

25

  1. HG
    Héctor García Martín

    Lawrence Berkeley National Laboratory, United States

    1 publications · 13 citations

    1

    h-index

  2. JW
    John W. Kennedy

    University of Washington, United States

    1 publications · 20 citations

    1

    h-index

  3. VB
    Vincent Blay

    University of California, Santa Cruz, United States

    1 publications · 13 citations

    1

    h-index

  4. TR
    Tijana Radivojević

    Basque Center for Applied Mathematics, Spain

    1 publications · 13 citations

    1

    h-index

  5. HW
    Hongwei Wang

    Beijing Jiaotong University, China

    1 publications · 35 citations

    1

    h-index

1–5 of 25

Institutions

15

  1. Polish Academy of Sciences

    Warsaw, Poland

    1 h-index

    2 publications

    104 citations

  2. Ghent University

    Ghent, Belgium

    1 h-index

    2 publications

    52 citations

  3. Pace University

    New York, United States

    1 h-index

    1 publications

    20 citations

  4. Lawrence Livermore National Laboratory

    Livermore, United States

    1 h-index

    1 publications

    13 citations

  5. Lawrence Livermore National Security

    Livermore, United States

    1 h-index

    1 publications

    13 citations

  6. Sandia National Laboratories California

    Livermore, United States

    1 h-index

    1 publications

    13 citations

  7. Korea Advanced Institute of Science and Technology

    Daejeon, South Korea

    1 h-index

    2 publications

    102 citations

  8. Universitat de Girona

    Girona, Spain

    1 h-index

    1 publications

    26 citations

1–8 of 15

Venues

  1. Nature Communications

    1 publications · 51 citations

    1

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 1 publications · 13 citations

    1

    h-index

  3. Discrete Applied Mathematics

    1 publications · 20 citations

    1

    h-index

  4. arXiv (Cornell University)

    Repository · 1 publications · 35 citations

    1

    h-index

  5. Molecules

    1 publications · 21 citations

    1

    h-index

1–5