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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.
Molecular Informatics|November 2, 2021
Atom-to-atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus StrategiesArkadii Lin, Natalia Dyubankova, Timur I Madzhidov, et al.
Molecular Informatics|September 26, 2018
Optimal Piecewise Linear Regression Algorithm for QSAR ModellingJonathan Cardoso-Silva, George Papadatos, Lazaros G Papageorgiou, et al.
Molecular Informatics|June 7, 2019
Medicinal Chemistry Aware Database GDBMedChemMahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.
Molecular Informatics|March 12, 2022
A Descriptor Set for Quantitative Structure-property Relationship Prediction in BiologicsKannan Sankar, Kyle Trainor, Levi L Blazer, et al.
Molecular Informatics|March 31, 2022
Identification of Trovafloxacin, Ozanimod, and Ozenoxacin as Potent c-Myc G-Quadruplex Stabilizers to Suppress c-Myc Transcription and Myeloma GrowthJinyuan Zhang, Tao Wang, Xiaoju Geng, et al.
Molecular Informatics|October 15, 2019
Prediction of Passive Membrane Permeability by Semi-Empirical Method Considering Viscous and Inertial Resistances and Different Rates of Conformational Change and DiffusionYoshifumi Fukunishi, Tadaaki Mashimo, Takashi Kurosawa, et al.
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