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Effect of Selection of Molecular Descriptors on the Prediction of Blood−Brain Barrier Penetrating and Nonpenetrating Agents by Statistical Learning Methods

https://doi.org/10.1021/ci050135u
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Applied logistic regression

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Blood–Brain Barrier Permeability Assessment for Small‐Molecule Drug Discovery Using Computational Techniques
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Predicting Blood-Brain Barrier Penetration by Stochastic Discrimination
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Predicting Penetration Across the Blood-Brain Barrier A Rough Set Approach
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Sparse Possibilistic Clustering with L1 Regularization
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Predictive Modeling of Blood-Brain Barrier Penetration Using ANN Optimized by Sine Cosine Algorithm
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In Silico Prediction of Pregnane X Receptor Activators by Machine Learning Approache
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Computer modeling of blood brain barrier permeability for physiologically active compounds
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Artificial Intelligence in Drug Treatment
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RP-18 HPLC Analysis of Drugs’ Ability to Cross the Blood-Brain Barrier
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Blood–brain barrier penetration prediction enhanced by uncertainty estimation
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Improved Prediction of Blood–Brain Barrier Permeability Through Machine Learning with Combined Use of Molecular Property-Based Descriptors and Fingerprints
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GCN-BBB: Deep Learning Blood-Brain Barrier (BBB) Permeability PharmacoAnalytics with Graph Convolutional Neural (GCN) Network
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Computer modeling of blood brain barrier permeability of physiologically active compounds
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The Application of in silico Methods for Prediction of Blood-Brain Barrier Permeability of Small Molecule PET Tracers
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Computational Approach to Drug Penetration across the Blood-Brain and Blood-Milk Barrier Using Chromatographic Descriptors
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Discretization Based on Entropy and Multiple Scanning
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Pharmacophore Modeling Using Machine Learning for Screening the Blood–Brain Barrier Permeation of Xenobiotics
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Blood-Brain Barrier Passage Prediction Using Decision Tree
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Large-Scale Evaluation of Collision Cross Sections to Investigate Blood-Brain Barrier Permeation of Drugs
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Additional file 1 of Blood–brain barrier penetration prediction enhanced by uncertainty estimation
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In Silico prediction of Blood-Brain Barrier permeability of chemical compounds using molecular feature modeling
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A deep learning approach to predict blood-brain barrier permeability
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