Molecular Informatics
Overview
Molecular Informatics is a peer-reviewed journal that focuses on the intersection of molecular biology and informatics. It publishes cutting-edge research on the development and application of computational methods, algorithms, and tools for analyzing and interpreting molecular data. The journal covers a wide range of topics, including drug discovery, protein structure prediction, genomics, and systems biology. With its emphasis on bridging the gap between biology and computer science, Molecular Informatics serves as a valuable resource for researchers and practitioners in both fields.
Details
Details
Abbr.
Mol Inform
Start
2010
End
Continuing
Frequency
Monthly
p-ISSN
1868-1743
e-ISSN
1868-1751
Country
Germany
Language
English
Specialties
Biochemistry
Biology
Molecular Biology
Chemistry
Biology
Molecular Biology
Chemistry
Metrics
Metrics
h-index / Ranks: 4734
75
SJR / Ranks: 8213
550
CiteScore / Ranks: 2824
7.10
JIF / Ranks: 2654
3.6
Recent Articles
1.
Wakutsu Y, Kaneko H
Mol Inform
. 2025 Mar;
44(3):e202400274.
PMID: 40080720
In fragrance development, the framework development process is a bottleneck from the perspective of labor, cost, and human resource development. Odors vary greatly depending on the structure and functional groups...
2.
Pham P
Mol Inform
. 2025 Mar;
44(3):e202400335.
PMID: 40073281
Within a recent decade, graph neural network (GNN) has emerged as a powerful neural architecture for various graph-structured data modelling and task-driven representation learning problems. Recent studies have highlighted the...
3.
Matrouk A, Mohammad H, Daoud S, Taha M
Mol Inform
. 2025 Feb;
44(2):e202400336.
PMID: 39976334
The human epidermal growth factor receptor 2 (HER2) is a critical oncogene implicated in the development of various aggressive cancers, particularly breast cancer. Discovering novel HER2 inhibitors is crucial for...
4.
Hori K, Matsuo Y, Yamaguchi T, Funatsu K
Mol Inform
. 2025 Feb;
44(2):e202400040.
PMID: 39963839
Reactions commonly used in synthetic organic chemistry are named after their discoverers or developers. They are called the name reactions and generally consist of several elementary reactions. Quantum chemical calculations...
5.
Espinoza-Castaneda J, Medina-Franco J
Mol Inform
. 2025 Feb;
44(2):e202400306.
PMID: 39932235
Herein, we introduce MAYA (Multiple Activity Analyzer), a tool designed to automatically construct a chemical multiverse, generating multiple visualizations of chemical spaces of a compound data set described by structural...
6.
Dadashi D, Kaedi M, Dadashi P, Sinha Ray S
Mol Inform
. 2025 Feb;
44(2):e202400193.
PMID: 39931926
The widespread use of polymer solutions in the chemical industry poses a significant challenge in determining optimal dissolution conditions. Traditionally, researchers have relied on experimental methods to estimate the processing...
7.
Ramirez-Marquez C, Medina-Franco J
Mol Inform
. 2025 Feb;
44(2):e202400337.
PMID: 39918283
In chemoinformatics, chemical databases have great importance since their main objective is to store and organize the chemical structures of molecules and their properties, from basic information such as chemical...
8.
Somaki R, Inagaki T, Hatanaka M
Mol Inform
. 2025 Jan;
44(2):e202400041.
PMID: 39887863
Conventional molecular geometry searches on a potential energy surface (PES) utilize energy gradients from quantum chemical calculations. However, replacing energy calculations with noisy quantum computer measurements generates errors in the...
9.
Abderrahmane M, Tajmouati H, Ribeiro da Silva V, Perron Q
Mol Inform
. 2025 Jan;
44(2):e202400039.
PMID: 39887833
Currently, numerous metrics allow chemists and computational chemists to refine and filter libraries of virtual molecules in order to prioritize their synthesis. Some of the most commonly used metrics and...
10.
Nippa D, Muller A, Atz K, Konrad D, Grether U, Martin R, et al.
Mol Inform
. 2025 Jan;
44(1):e202400361.
PMID: 39846425
Utilizing the growing wealth of chemical reaction data can boost synthesis planning and increase success rates. Yet, the effectiveness of machine learning tools for retrosynthesis planning and forward reaction prediction...