Molecular Informatics

Papers
(The H4-Index of Molecular Informatics is 18. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-09-01 to 2025-09-01.)
ArticleCitations
77
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora51
Development and Evaluation of Peptidomimetic Compounds against SARS‐CoV‐2 Spike Protein: An in silico and in vitro Study49
Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder45
Cover Picture: (Mol. Inf. 4/2022)37
Development of a Novel Pharmacophore Model Guided by the Ensemble of Waters and Small Molecule Fragments Bound to SARS‐CoV‐2 Main Protease36
Cover Picture: (Mol. Inf. 1/2023)30
A community effort in SARS‐CoV‐2 drug discovery29
A Descriptor Set for Quantitative Structure‐property Relationship Prediction in Biologics27
Chemical Reactivity Prediction: Current Methods and Different Application Areas27
Identification of Trovafloxacin, Ozanimod, and Ozenoxacin as Potent c‐Myc G‐Quadruplex Stabilizers to Suppress c‐Myc Transcription and Myeloma Growth26
Cover Picture: (Mol. Inf. 1/2024)22
Review of the 8th autumn school in chemoinformatics22
Virtual screening of natural products to enhance melanogenosis20
Technique of Augmenting Molecular Graph Data by Perturbating Hidden Features20
Application of automated machine learning in the identification of multi‐target‐directed ligands blocking PDE4B, PDE8A, and TRPA1 with potential use in the treatment of asthma and COPD19
Cumulative phylogenetic, sequence and structural analysis of Insulin superfamily proteins provide unique structure‐function insights19
Predicting the duration of action of β2‐adrenergic receptor agonists: Ligand and structure‐based approaches19
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