Concepedia

Molecular Descriptor Data

Molecular Descriptor Data is a structured representation of chemically relevant molecular characteristics, derived from computational or experimental analyses, that quantitatively or qualitatively defines the physicochemical properties of molecules for use in cheminformatics, drug discovery, and predictive modeling.

486

Publications

36.4K

Citations

1.7K

Authors

662

Institutions

Publications per year

2017–2026

156

Parents

Publications

486

PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints

Chun Wei Yap · Journal of Computational Chemistry · 2010 · 3K citations · Full text

, , +15

Reoptimization of MDL Keys for Use in Drug Discovery

Joseph L. Durant, Burton A. Leland, Douglas R. Henry et al. · Journal of Chemical Information and Computer Sciences · 2002 · 1.9K citations

, , +16

Mordred: a molecular descriptor calculator

Hirotomo Moriwaki, Yu‐Shi Tian, Norihito Kawashita et al. · Journal of Cheminformatics · 2018 · 1.5K citations · Full text

, , +12

Escape from Flatland 2: complexity and promiscuity

Frank Lovering · MedChemComm · 2012 · 1.4K citations

, , +12

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support

Li Fu, Shaohua Shi, Jiacai Yi et al. · Nucleic Acids Research · 2024 · 977 citations · Full text

, , +17

1–5 of 486

Authors

1.7K

  1. AA
    Andrey A. Toropov

    Mario Negri Institute for Pharmacological Research, Italy

    13 publications · 455 citations

    12

    h-index

  2. YM
    Yovani Marrero‐Ponce

    Universidad Central "Marta Abreu" de las Villas (UCLV), Cuba

    11 publications · 451 citations

    11

    h-index

  3. AP
    Alla P. Toropova

    Mario Negri Institute for Pharmacological Research, Italy

    11 publications · 398 citations

    11

    h-index

  4. EB
    Emilio Benfenati

    Mario Negri Institute for Pharmacological Research, Italy

    11 publications · 411 citations

    11

    h-index

  5. RT
    Roberto Todeschini

    University of Milano-Bicocca, Italy

    9 publications · 1.1K citations

    9

    h-index

1–5 of 1.7K

Institutions

662

  1. Mario Negri Institute for Pharmacological Research

    Milan, Italy

    12 h-index

    42 publications

    1.7K citations

  2. Universidad Central "Marta Abreu" de las Villas (UCLV)

    Santa Clara, Cuba

    10 h-index

    26 publications

    1K citations

  3. Central South University

    Changsha, China

    9 h-index

    46 publications

    13.2K citations

  4. Uppsala University

    Uppsala, Sweden

    9 h-index

    31 publications

    3.4K citations

  5. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas

    La Plata, Argentina

    7 h-index

    18 publications

    948 citations

  6. Vrije Universiteit Brussel

    Brussels, Belgium

    7 h-index

    21 publications

    1.2K citations

  7. AstraZeneca (Sweden)

    Södertälje, Sweden

    7 h-index

    20 publications

    3.7K citations

  8. Hong Kong Baptist University

    Hong Kong, Hong Kong

    7 h-index

    12 publications

    3K citations

1–8 of 662

Venues

  1. 27

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 41 publications · 2.6K citations

    26

    h-index

  3. Journal of Cheminformatics

    23 publications · 3.6K citations

    21

    h-index

  4. Journal of Computer-Aided Molecular Design

    13 publications · 1.4K citations

    13

    h-index

  5. SAR and QSAR in environmental research

    13 publications · 347 citations

    12

    h-index

1–5