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Molecular Informatics
Latest Publications
TOTAL DOCUMENTS
1077
(FIVE YEARS 227)
H-INDEX
40
(FIVE YEARS 7)
Published By Wiley (John Wiley & Sons)
1868-1751, 1868-1743
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
Antibacterial Activity Prediction of Plant Secondary Metabolites Based on a Combined Approach of Graph Clustering and Deep Neural Network
Molecular Informatics
◽
10.1002/minf.202100247
◽
2022
◽
Author(s):
Mohammad Bozlul Karim
◽
Shigehiko Kanaya
◽
Md. Altaf-Ul-Amin
Keyword(s):
Neural Network
◽
Antibacterial Activity
◽
Secondary Metabolites
◽
Deep Neural Network
◽
Plant Secondary Metabolites
◽
Graph Clustering
◽
Combined Approach
◽
Activity Prediction
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Technique of Augmenting Molecular Graph Data by Perturbating Hidden Features
Molecular Informatics
◽
10.1002/minf.202100267
◽
2022
◽
Author(s):
Takahiro Inoue
◽
Kenichi Tanaka
◽
Kimito Funatsu
Keyword(s):
Molecular Graph
◽
Graph Data
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Metabolovigilance: Associating Drug Metabolites with Adverse Drug Reactions
Molecular Informatics
◽
10.1002/minf.202100261
◽
2022
◽
Author(s):
Henry Tan
◽
Scott Reed
Keyword(s):
Adverse Drug Reactions
◽
Drug Reactions
◽
Drug Metabolites
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An AI‐based prediction model for drug‐drug interactions in osteoporosis and Paget’s diseases from SMILES
Molecular Informatics
◽
10.1002/minf.202100264
◽
2022
◽
Author(s):
Truong Nguyen Khanh Hung
◽
Nguyen Quoc Khanh Le
◽
Ngoc Hoang Le
◽
Le Van Tuan
◽
Thuan Phuoc Nguyen
◽
...
Keyword(s):
Prediction Model
◽
Drug Interactions
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Exploration of the chemical space of DNA‐encoded libraries
Molecular Informatics
◽
10.1002/minf.202100289
◽
2022
◽
Author(s):
Regina PIKALYOVA
◽
Yuliana Zabolotna
◽
Dmitriy Volochnyuk
◽
Dragos Horvath
◽
Marcous Gilles
◽
...
Keyword(s):
Chemical Space
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Cover Picture: (Mol. Inf. 1/2022)
Molecular Informatics
◽
10.1002/minf.202280101
◽
2022
◽
Vol 41
(1)
◽
pp. 2280101
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Network‐Based Approaches for Drug Repositioning
Molecular Informatics
◽
10.1002/minf.202100200
◽
2021
◽
pp. 2100200
Author(s):
Tao Song
◽
Gan Wang
◽
Mao Ding
◽
Alfonso Rodriguez‐Paton
◽
Xun Wang
◽
...
Keyword(s):
Drug Repositioning
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Chemical reactivity prediction: current methods and different application areas
Molecular Informatics
◽
10.1002/minf.202100277
◽
2021
◽
Author(s):
Peter Ertl
◽
Gregori Gerebtzoff
◽
Richard A. Lewis
◽
Hagen Muenkler
◽
Nadine Schneider
◽
...
Keyword(s):
Chemical Reactivity
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Pharmacophore‐guided Virtual Screening to Identify New β3‐Adrenergic Receptor Agonists
Molecular Informatics
◽
10.1002/minf.202100223
◽
2021
◽
Author(s):
Navista Sri Octa Ujiantari
◽
Seungmin Ham
◽
Chisae Nagiri
◽
Wataru Shihoya
◽
Osamu Nureki
◽
...
Keyword(s):
Virtual Screening
◽
Adrenergic Receptor
◽
Receptor Agonists
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Chemoinformatic Characterization of Synthetic Screening Libraries Focused on Epigenetic Targets
Molecular Informatics
◽
10.1002/minf.202100285
◽
2021
◽
pp. 2100285
Author(s):
E. Alexis Flores‐Padilla
◽
K. Eurídice Juárez‐Mercado
◽
José J. Naveja
◽
Taewon D. Kim
◽
Ramón Alain Miranda‐Quintana
◽
...
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