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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.
Molecular Informatics|June 13, 2019
Value of p-ValueAlexander Golbraikh
Molecular Informatics|April 24, 2018
Multiple Machine Learning Based-Chemoinformatics Models for Identification of Histone Acetyl Transferase InhibitorsShagun Krishna, Sushil Kumar, Deependra Kumar Singh, et al.
Molecular Informatics|August 23, 2016
Best Matching Protein Conformations and Docking Programs for a Virtual Screening Campaign Against SMO ReceptorGiorgio Amendola, Danilo Di Maio, Valeria La Pietra, et al.
Molecular Informatics|August 23, 2016
GLIMPSED: An Improved Docking Protocol for Cognate DockingAndrea Rizzi, Andrea Ciacci, Anna Maria Capelli
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