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GPU Accelerated Support Vector Machines for Mining High-Throughput Screening Data

https://doi.org/10.1021/ci900337f
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9780470116449.ch6openalex-snapshot
Applications of Support Vector Machines in Chemistry
inferredcites →https://doi.org/10.1007/s11030-006-9036-2openalex-snapshot
SVM approach for predicting LogP
inferredcites →https://doi.org/10.1016/j.drudis.2006.06.006openalex-snapshot
Methods for mining HTS data
inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot
Similarity-based virtual screening using 2D fingerprints
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Data mining PubChem using a support vector machine with the Signature molecular descriptor: Classification of factor XIa inhibitors
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Graph kernels for chemical informatics
inferredcites →https://doi.org/10.1021/ci025596jopenalex-snapshot
Combination of Fingerprint-Based Similarity Coefficients Using Data Fusion
inferredcites →https://doi.org/10.1021/ci034107sopenalex-snapshot
Support Vector Machines for the Estimation of Aqueous Solubility
inferredcites →https://doi.org/10.1021/ci050374hopenalex-snapshot
Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers
inferredcites →https://doi.org/10.1021/ci700107yopenalex-snapshot
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification
inferredcites →https://doi.org/10.1021/ci700461sopenalex-snapshot
Support-Vector-Machine-Based Ranking Significantly Improves the Effectiveness of Similarity Searching Using 2D Fingerprints and Multiple Reference Compounds
inferredcites →https://doi.org/10.1021/ci7004753openalex-snapshot
Predictive Activity Profiling of Drugs by Topological-Fragment-Spectra-Based Support Vector Machines
inferredcites →https://doi.org/10.1021/ci800387zopenalex-snapshot
SVM Model for Virtual Screening of Lck Inhibitors
inferredcites →https://doi.org/10.1021/ct9000685openalex-snapshot
ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
inferredcites →https://doi.org/10.1145/1150402.1150429openalex-snapshot
Training linear SVMs in linear time
inferredcites →https://doi.org/10.1177/1087057105281365openalex-snapshot
Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up
inferredcites →https://doi.org/10.1177/1087057105284334openalex-snapshot
Support Vector Machines in HTS Data Mining: Type I MetAPs Inhibition Study
inferredcites →https://doi.org/10.1186/1471-2105-9-401openalex-snapshot
Developing and validating predictive decision tree models from mining chemical structural fingerprints and high–throughput screening data in PubChem
inferredcites →https://doi.org/10.1385/mb:27:2:139openalex-snapshot
Neural Networks as Robust Tools in Drug Lead Discovery and Development
inferredcites →https://doi.org/10.21236/ada444816openalex-snapshot
Acyclic Subgraph Based Descriptor Spaces for Chemical Compound Retrieval and Classification
inferredcites →https://doi.org/10.2174/1386207024607338openalex-snapshot
Grouping of Coefficients for the Calculation of Inter-Molecular Similarity and Dissimilarity using 2D Fragment Bit-Strings
inferredcites →https://doi.org/10.5555/299094openalex-snapshot
Advances in kernel methods: support vector learning

What points at this work

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

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Enhancement of Scalability of SVM Classifiers for Big Data
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Big (Bio)Chemical Data Mining Using Chemometric Methods: A Need for Chemists
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gWEGA: GPU‐accelerated WEGA for molecular superposition and shape comparison
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Mapping Data Mining Algorithms on a GPU Architecture: A Study
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The role of machine learning in neuroimaging for drug discovery and development
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A study into the potential of GPUs for the efficient construction and evaluation of Kriging models
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GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening
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Evolving biomaterials design from trial and error to intelligent innovation
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Ligand based virtual screening using SVM on GPU
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A hybrid CPU-Graphics Processing Unit (GPU) approach for computationally efficient simulation-optimization
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Generating automatic road network definition files for unstructured areas using a multiclass support vector machine
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GPU-accelerated Chemical Similarity Assessment for Large Scale Databases
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GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison
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Accelerating Two Algorithms for Large-Scale Compound Selection on GPUs
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Accelerating Chemical Database Searching Using Graphics Processing Units
inferred← citeshttps://doi.org/10.1021/ci400263topenalex-snapshot
Accelerated Conformational Entropy Calculations Using Graphic Processing Units
inferred← citeshttps://doi.org/10.1080/17460441.2019.1549033openalex-snapshot
Advances with support vector machines for novel drug discovery
inferred← citeshttps://doi.org/10.1088/1742-6596/341/1/012018openalex-snapshot
Scalability of Self-organizing Maps on a GPU cluster using OpenCL and CUDA
inferred← citeshttps://doi.org/10.1093/jnci/djq457openalex-snapshot
Effect of Nitroxoline on Angiogenesis and Growth of Human Bladder Cancer
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Incremental and parallel proximal SVM algorithm tailored on the Jetson Nano for the ImageNet challenge
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A Distributed Information Extraction System Integrating Ontological Knowledge and Probabilistic Classifiers
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Efficient parallel algorithm for compound comparisons on multi-GPUs
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Optimizing Radial Basis Function Kernel on OpenCL FPGA Platform
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A GPU Based SVM Method with Accelerated Kernel Matrix Calculation
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GPU implementation of Turbo Similarity Searching using binary and fragment occurrence descriptors
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An Architecture for Improving the Efficiency of Specialized Vertical Search Engine Based on GPGPUs
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A Vertical Search Engine for Energy Conservation and Environmental Protection
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Evaluating Radial Basis Function Kernel on OpenCL FPGA Platform
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Framework for Mapping Data Mining Applications on GPUs
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The Future of Virtual Compound Screening
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A survey of GPU accelerated SVM
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Parallel Computing of Support Vector Machines
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Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs
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Profiling Animal Toxicants by Automatically Mining Public Bioassay Data: A Big Data Approach for Computational Toxicology
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A distributed architecture to integrate ontological knowledge into information extraction
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Exploiting PubChem for virtual screening
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The cloud and other new computational methods to improve molecular modelling
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GPU-Accelerated SVM Training Algorithm Based on PC and Mobile Device
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Insights into Machine Learning-based Approaches for Virtual Screening in Drug Discovery: Existing Strategies and Streamlining Through FP-CADD
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