Concepedia

Chemoinformatics-based Repurposing

Chemoinformatics-Based Repurposing is a computational drug discovery approach that identifies new therapeutic uses for existing compounds by leveraging chemical structure data, molecular similarity metrics, and bioactivity profiles to predict interactions with disease-relevant biological targets.

112

Publications

5.1K

Citations

620

Authors

262

Institutions

Publications per year

2017–2026

86

Parents

Publications

112

Development of a large-scale chemogenomics database to improve drug candidate selection and to understand mechanisms of chemical toxicity and action

Brigitte Ganter, Stuart Tugendreich, Cecelia I. Pearson et al. · Journal of Biotechnology · 2005 · 287 citations

, , +16

Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery

Jaak Simm, Günter Klambauer, Ádám Arany et al. · Cell chemical biology · 2018 · 248 citations · Full text

, , +7

On the Integration of In Silico Drug Design Methods for Drug Repurposing

E. Vila, Luca Pinzi, Noé Sturm et al. · Frontiers in Pharmacology · 2017 · 235 citations · Full text

, , +12

Drug Repurposing: An Effective Tool in Modern Drug Discovery

V. S. Kulkarni, V. Alagarsamy, V. Raja Solomon et al. · Russian Journal of Bioorganic Chemistry · 2023 · 232 citations · Full text

, , +16

Deep learning for drug repurposing: Methods, databases, and applications

Xiaoqin Pan, Xuan Lin, Dongsheng Cao et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 175 citations

, , +16

1–5 of 112

Authors

620

  1. VP
    Vladimir Poroikov

    Institute of Biomedical Chemistry, Russia

    5 publications · 349 citations

    5

    h-index

  2. VS
    V. Shanthi

    Vellore Institute of Technology University, India

    4 publications · 68 citations

    4

    h-index

  3. LX
    Lei Xie

    Hunter College, United States

    4 publications · 136 citations

    4

    h-index

  4. GN
    G. Narahari Sastry

    Indian Institute of Chemical Technology, India

    3 publications · 231 citations

    3

    h-index

  5. JB
    Jürgen Bajorath

    University of Bonn, Germany

    3 publications · 93 citations

    3

    h-index

1–5 of 620

Institutions

262

  1. Cornell University

    Ithaca, United States

    5 h-index

    19 publications

    372 citations

  2. Institute of Biomedical Chemistry

    Moscow, Russia

    5 h-index

    22 publications

    2.4K citations

  3. Hunter College

    New York, United States

    4 h-index

    10 publications

    346 citations

  4. The Graduate Center, CUNY

    New York, United States

    4 h-index

    9 publications

    373 citations

  5. Vellore Institute of Technology University

    Vellore, India

    4 h-index

    13 publications

    218 citations

  6. City University of New York

    New York, United States

    4 h-index

    13 publications

    545 citations

  7. Indian Institute of Chemical Technology

    Hyderabad, India

    3 h-index

    6 publications

    449 citations

  8. Weill Cornell Medicine

    New York, United States

    3 h-index

    7 publications

    140 citations

1–8 of 262

Venues

  1. Computers in Biology and Medicine

    3 publications · 108 citations

    3

    h-index

  2. 3

    h-index

  3. PLoS Computational Biology

    3 publications · 95 citations

    3

    h-index

  4. Molecular Informatics

    3 publications · 148 citations

    3

    h-index

  5. Molecules

    3 publications · 144 citations

    3

    h-index

1–5