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Molecular Informatics|September 19, 2019
Edge Distance-based Topological Indices of Strength-weighted Graphs and their Application to Coronoid Systems, Carbon Nanocones and SiO2 NanostructuresMicheal Arockiaraj, Sandi Klavžar, Joseph Clement, et al.
Molecular Informatics|September 7, 2019
Tropical and Subtropical Parasitic Diseases: Targets for a New Approach to Virtual ScreeningMaria J R Yunta, Roque Carlos Dietrich
Molecular Informatics|October 8, 2019
Estimating Some General Molecular Descriptors of Saturated HydrocarbonsAkbar Ali, Zhibin Du, Kiran Shehzadi
Molecular Informatics|January 15, 2021
Virtual Screening and Design with Machine Intelligence Applied to Pim-1 Kinase InhibitorsPetra Schneider, Martin Welin, Bo Svensson, et al.
Molecular Informatics|January 6, 2022
An AI-based Prediction Model for Drug-drug Interactions in Osteoporosis and Paget's Diseases from SMILESTruong Nguyen Khanh Hung, Nguyen Quoc Khanh Le, Ngoc Hoang Le, et al.
Molecular Informatics|December 8, 2021
Block-wise Exploration of Molecular Descriptors with Multi-block Orthogonal Component Analysis (MOCA)Sebastian Schmidt, Michael Schindler, Lennart Eriksson
Molecular Informatics|January 17, 2022
Virtual Screening Inhibitors of Ubiquitin-specific Protease 7 Combining Pharmacophore Modeling and Molecular DockingSiyu Zhang, Yifan Wang, Lu Liu, et al.
Molecular Informatics|April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor SpaceTomoyuki Miyao, Kimito Funatsu
Molecular Informatics|December 28, 2021
Pharmacophore-guided Virtual Screening to Identify New β3 -adrenergic Receptor AgonistsNavista Sri Octa Ujiantari, Seungmin Ham, Chisae Nagiri, et al.
Molecular Informatics|October 22, 2021
Machine Learning for Prediction of Drug Targets in Microbe Associated Cardiovascular Diseases by Incorporating Host-pathogen Interaction Network ParametersNirupma Singh, Sonika Bhatnagar
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