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 2021-07-01 to 2025-07-01.)
ArticleCitations
Cover Picture: (Mol. Inf. 1/2023)76
Development of a Novel Pharmacophore Model Guided by the Ensemble of Waters and Small Molecule Fragments Bound to SARS‐CoV‐2 Main Protease47
Cover Picture: (Mol. Inf. 4/2022)43
36
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora36
Development and Evaluation of Peptidomimetic Compounds against SARS‐CoV‐2 Spike Protein: An in silico and in vitro Study34
A Descriptor Set for Quantitative Structure‐property Relationship Prediction in Biologics29
Fragment‐based deep molecular generation using hierarchical chemical graph representation and multi‐resolution graph variational autoencoder26
A community effort in SARS‐CoV‐2 drug discovery24
Chemical Reactivity Prediction: Current Methods and Different Application Areas23
Review of the 8th autumn school in chemoinformatics22
Cover Picture: (Mol. Inf. 1/2024)22
Technique of Augmenting Molecular Graph Data by Perturbating Hidden Features21
Cumulative phylogenetic, sequence and structural analysis of Insulin superfamily proteins provide unique structure‐function insights21
Structure‐based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural‐product‐derived IRAK‐4 Inhibitors20
Identification of Trovafloxacin, Ozanimod, and Ozenoxacin as Potent c‐Myc G‐Quadruplex Stabilizers to Suppress c‐Myc Transcription and Myeloma Growth20
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
Virtual screening of natural products to enhance melanogenosis18
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