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Search results for deep learning chemoinformatics
chemoinformatics
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deep-learning
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10 search results found
Deepecg
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187
ECG classification programs based on ML/DL methods
Deepmol
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74
DeepMol: A Machine and Deep Learning Framework for Computational Chemistry
Py4chemoinformatics
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53
Python for chemoinformatics
Chemical_representation_learning_for_toxicity_prediction
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38
Chemical representation learning paper in Digital Discovery
Paccmann_datasets
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24
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
Molgrad
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11
Supporting code for doi 10.1021/acs.jcim.0c01344
Edgeshaper
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11
EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks
2021 Icyp Mfe
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10
Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecular Fingerprint-embedded Encoding"
Refdnn
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7
RefDNN: a reference drug based neural network for more accurate prediction of anticancer drug resistance (Scientific Reports)
2020 Dili Cnn Mfe
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5
Source code and data of the paper entitled "Predicting Drug-Induced Liver Injury Using Convolutional Neural Network and Molecular Fingerprint-Embedded Features"
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