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Molecular Informatics|March 19, 2021
Effect of Learning Dataset for Identification of Active Molecules: A Case Study of Integrin αIIbβ3 InhibitorsKentaro Kawai, Mami Tomonou, Yume Machida, et al.
Molecular Informatics|January 11, 2022
Antibacterial Activity Prediction of Plant Secondary Metabolites Based on a Combined Approach of Graph Clustering and Deep Neural NetworkMohammad Bozlul Karim, Shigehiko Kanaya, Md Altaf-Ul-Amin
Molecular Informatics|January 7, 2022
Metabolovigilance: Associating Drug Metabolites with Adverse Drug ReactionsHenry Tan, Scott M Reed
Molecular Informatics|November 23, 2021
Chemoinformatics and Machine Learning Approaches for Identifying Antiviral CompoundsLijo John, Yarasi Soujanya, Hridoy Jyoti Mahanta, et al.
Molecular Informatics|November 3, 2022
Experimentally Validated Novel Factor XIIa Inhibitors Identified by Docking and Quantum Chemical Post-processingIvan Ilin, Nadezhda Podoplelova, Alexey Sulimov, et al.
Molecular Informatics|September 29, 2022
Consensus Virtual Screening Protocol Towards the Identification of Small Molecules Interacting with the Colchicine Binding Site of the Tubulin-microtubule SystemEdgar López-López, Carlos M Cerda-García-Rojas, José L Medina-Franco
Molecular Informatics|April 13, 2019
Prediction of Protein Metal Binding Sites Using Deep Neural Networksİsmail Haberal, Hasan Oğul
Molecular Informatics|April 9, 2019
Information Loss in Network PharmacologyIngo Vogt, Jordi Mestres
Molecular Informatics|April 11, 2019
Assessments of Algal Toxicity and PBT Behaviour of Pesticides with No Eco-toxicological Data: Predictive Ability of QSA/(T)R ModelsSelen Gökçe, Melek Türker Saçan
Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
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