logo
CanyamAI summaries for academic research
language
MobileMobile
  • Phone FeatureWeChat Mini Program
EnglishEnglish
noticeNotice
BlogBlog
delete
arrow
BackJournal Details
Molecular Informatics cover

Molecular Informatics

IF3.1
Papers72
Citations2204
Journal Papers 62
Publication Date
delete
SpaceExpander: An Automated System for Drafting Markush Claims to Expand Chemical Space
deleteMolecular Informatics
IF3.1
delete2026-06-09
delete0
PREAI
deleteRui Wu; Liyun Mao; Yanyan Diao; Honglin Li
deleteShare
deleteSave
A Structure-Informed Atlas of Venom-Derived Peptides Reveals the Organization of Chemical Space
deleteMolecular Informatics
IF3.1
delete2026-05-25
delete0
deleteOAAI
deleteThaís Caroline Gonçalves; Eduardo Henrique Toral Cortez; Danilo T. Amaral
deleteShare
deleteSave
Novel Molecules Generation Using Graph Generative Adversarial Networks
deleteMolecular Informatics
IF3.1
delete2026-05-10
delete0
PREAI
deleteAmodini A. P.; Chandra Mohan Dasari; Santhosh Amilpur
deleteShare
deleteSave
An Attention-Driven Graph Transformer With Nonlinear Modeling and Neuro-Fuzzy Fusion for High-Order Toxic Molecular Graph Learning
deleteMolecular Informatics
IF3.1
delete2026-05-09
delete0
PREAI
deletePhu Pham
deleteShare
deleteSave
Molecular Modeling and Chemoinformatics in Ukraine
deleteMolecular Informatics
IF3.1
delete2026-04-30
delete0
deleteOAAI
deleteDmytro M. Volochnyuk; Serhiy V. Ryabukhin
deleteShare
deleteSave
Constellation Plots in KNIME: An Automated Scaffold-Based Workflow for Interactive Chemical Space Visualization
deleteMolecular Informatics
IF3.1
delete2026-04-30
delete0
deleteOAAI
deleteCarlos D. Ramírez-Márquez; Edgar López-López; José L. Medina-Franco
deleteShare
deleteSave
ChemBang: Expanding the Chemical Space Around Small Molecules
deleteMolecular Informatics
IF3.1
delete2026-04-29
delete0
deleteOAAI
deleteDiana Montes-Grajales; Luca Menestrina; Ricard Garcia-Serna; Jordi Mestres
deleteShare
deleteSave
Machine Learning Models Predicting Solubility and Polymerizability of Polyimides Considering Multiple Monomers for CO2 Separation Membranes
deleteMolecular Informatics
IF3.1
delete2026-04-22
delete0
deleteOAAI
deleteYuto Shino; Motosuke Katayama; Yuri Ito; Hiromasa Kaneko
deleteShare
deleteSave
Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship Modeling
deleteMolecular Informatics
IF3.1
delete2026-04-22
delete0
PREAI
deleteFarah Asgarkhanova; Shamkhal Baybekov; Gilles Marcou; Catherine Champmartin; Lisa Chedik; Frédéric Cosnier; Mikhail Volkov; Louis Plyer; Dragos Horvath; Alexandre Varnek
deleteShare
deleteSave
The Use of DeepQSAR Models for the Discovery of Peptides With Enhanced Antimicrobial and Antibiofilm Potential
deleteMolecular Informatics
IF3.1
delete2026-04-16
delete0
deleteOAAI
deleteJiaying You; Hazem Mslati; Evan F. Haney; Noushin Akhoundsadegh; Robert E. W. Hancock; Artem Cherkasov
deleteShare
deleteSave
LapGAT: A Semi-Supervised Learning Framework for Drug-Target Interaction Prediction
deleteMolecular Informatics
IF3.1
delete2026-04-01
delete0
PREAI
deleteSong, Lianjun; Yuan, Wei; Pei, Xinyu
deleteShare
deleteSave
Foundation and Multimodal Models for Drug Discovery in Molecular Informatics: Principles, Evaluation, and Practical Guidance
deleteMolecular Informatics
IF3.1
delete2026-03-01
delete0
deleteOAAI
deletePastore, Emmanuel Pio; De Rango, Francesco
deleteShare
deleteSave
A Multistep Computational Approach to Achieve a Complete Human 5-Lipoxygenase Structure and Provide a Pharmacophore Model for Further Drug Design
deleteMolecular Informatics
IF3.1
delete2026-03-01
delete0
deleteOAAI
deleteLombardo, Lisa; Agnello, Francesco; Gitto, Rosaria; De Luca, Laura
deleteShare
deleteSave
Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping
deleteMolecular Informatics
IF3.1
delete2026-03-01
delete0
deleteOAAI
deletePlyer, Louis; Orlov, Alexey A.; Akhmetshin, Tagir N.; Yeghyan, Erik; Bonachera, Fanny; Horvath, Dragos; Varnek, Alexandre
deleteShare
deleteSave
Finding Pathways in Reaction Networks Guided by Energy Barriers Using Integer Linear Programing
deleteMolecular Informatics
IF3.1
delete2026-03-01
delete0
PREAI
deletePal, Adittya; Fagerberg, Rolf; Andersen, Jakob Lykke; Dittrich, Peter; Merkle, Daniel
deleteShare
deleteSave
MetaStab-Analyzer: Classification and Regression Models for Metabolic Stability Prediction
deleteMolecular Informatics
IF3.1
delete2026-02-04
delete0
PREAI
deleteAnastasia Rudik; Leonid Stolbov; Alexey Lagunin; Dmitry Filimonov; Vladimir Poroikov
deleteShare
deleteSave
Therapeutic Potential of Amyloid-β Interactors in Rapidly Progressive Alzheimer's Disease-An In Silico Study
deleteMolecular Informatics
IF3.1
delete2026-02-01
delete0
PREAI
deleteSaeed, Sania; Khan, Shahrukh; Noor, Aneeqa; Zerr, Inga; Zafar, Saima
deleteShare
deleteSave
Read-Across Structure-Property Relationship-Based Superior Prediction of Fraction Unbound in Plasma from Chemical Structure: Interpretable Models with Minimum Descriptors
deleteMolecular Informatics
IF3.1
delete2026-02-01
delete0
PREAI
deleteDasgupta, Indrasis; Khatun, Samima; Gayen, Shovanlal
deleteShare
deleteSave
DeepMoDRP: A Multi-Omics-Based Deep Learning Framework for Drug Response Prediction in Brain Cancer
deleteMolecular Informatics
IF3.1
delete2026-02-01
delete0
PREAI
deleteLi, Yuxuan; Shi, Xiumin; Wang, Lu; Zhang, Lianzhong
deleteShare
deleteSave
Statistics and Ontology of Published Small Molecule Ring Systems
deleteMolecular Informatics
IF3.1
delete2026-02-01
delete0
PREAI
deleteWeber, Lutz
deleteShare
deleteSave