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Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT
Free accessSpringer Verlag | 2020| -
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
American Chemical Society | 2021| -
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
American Chemical Society | 2017| -
Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking study
Free accessSpringer Verlag | 2017| -
Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline
American Chemical Society | 2019| -
4D- quantitative structure–activity relationship modeling: making a comeback
Taylor & Francis Verlag | 2019| -
Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation
American Chemical Society | 2016| -
Predicting Binding Affinity of CSAR Ligands Using Both Structure-Based and Ligand-Based Approaches
Online Contents | 2013| -
Adverse drug reactions triggered by the common HLA-B*57:01 variant: virtual screening of DrugBank using 3D molecular docking
Free accessSpringer Verlag | 2018| -
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
Free accessChemRxiv | 2020| -
Inductive Transfer Learning for Molecular Activity Prediction: Next-Gen QSAR Models with MolPMoFiT
Free accessChemRxiv | 2019| -
Student-Guided Three-Dimensional Printing Activity in Large Lecture Courses: A Practical Guideline
British Library Online Contents | 2019| -
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
American Chemical Society | 2010| -
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software
Free accessSpringer Verlag | 2014|
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