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Scaling Predictive Modeling in Drug Development with Cloud Computing
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jat.2804openalex-snapshot
Chemoinformatics and chemical genomics: potential utility of in silico methods
inferredcites →https://doi.org/10.1007/s10822-008-9192-9openalex-snapshot
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays
inferredcites →https://doi.org/10.1007/s11030-005-9001-5openalex-snapshot
Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity
inferredcites →https://doi.org/10.1016/b978-0-12-804018-8.15003-xopenalex-snapshot
The NIST Definition of Cloud Computing
inferredcites →https://doi.org/10.1016/j.bmcl.2012.10.102openalex-snapshot
QSAR investigation of NaV1.7 active compounds using the SVM/Signature approach and the Bioclipse Modeling platform
inferredcites →https://doi.org/10.1016/j.drudis.2012.05.016openalex-snapshot
Open PHACTS: semantic interoperability for drug discovery
inferredcites →https://doi.org/10.1016/s0027-5107(00)00064-6openalex-snapshot
The Ames Salmonella/microsome mutagenicity assay
inferredcites →https://doi.org/10.1017/cbo9780511801389openalex-snapshot
An Introduction to Support Vector Machines and Other Kernel-based Learning Methods
inferredcites →https://doi.org/10.1021/ar50020a002openalex-snapshot
Quantitative approach to biochemical structure-activity relationships
inferredcites →https://doi.org/10.1021/ci020345wopenalex-snapshot
The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies
inferredcites →https://doi.org/10.1021/ci020346oopenalex-snapshot
The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences
inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.1021/ci025590uopenalex-snapshot
Prediction of Aqueous Solubility of Organic Compounds Based on a 3D Structure Representation
inferredcites →https://doi.org/10.1021/ci200242copenalex-snapshot
Integrated Decision Support for Assessing Chemical Liabilities
inferredcites →https://doi.org/10.1021/ci500344vopenalex-snapshot
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines
inferredcites →https://doi.org/10.1021/ci500361uopenalex-snapshot
Ligand-Based Target Prediction with Signature Fingerprints
inferredcites →https://doi.org/10.1021/jm040835aopenalex-snapshot
Derivation and Validation of Toxicophores for Mutagenicity Prediction
inferredcites →https://doi.org/10.1021/mp070030+openalex-snapshot
A Computational Model for the Prediction of Aqueous Solubility That Includes Crystal Packing, Intrinsic Solubility, and Ionization Effects
inferredcites →https://doi.org/10.1021/pr300561qopenalex-snapshot
Cloud Parallel Processing of Tandem Mass Spectrometry Based Proteomics Data
inferredcites →https://doi.org/10.1021/tx700336nopenalex-snapshot
Quantitative Structure−Carcinogenicity Relationship for Detecting Structural Alerts in Nitroso Compounds: Species, Rat; Sex, Female; Route of Administration, Gavage
inferredcites →https://doi.org/10.1021/tx700391fopenalex-snapshot
Toward a Class-Independent Quantitative Structure−Activity Relationship Model for Uncouplers of Oxidative Phosphorylation
inferredcites →https://doi.org/10.1038/nbt.2028openalex-snapshot
Harnessing cloud computing with Galaxy Cloud
inferredcites →https://doi.org/10.1038/nbt0110-1openalex-snapshot
Gathering clouds and a sequencing storm
inferredcites →https://doi.org/10.1038/nbt0710-691openalex-snapshot
Cloud computing and the DNA data race
inferredcites →https://doi.org/10.1038/nbt1110-1181openalex-snapshot
In silico research in the era of cloud computing
inferredcites →https://doi.org/10.1038/nrg2857openalex-snapshot
Computational solutions to large-scale data management and analysis
inferredcites →https://doi.org/10.1093/bioinformatics/bts165openalex-snapshot
Eoulsan: a cloud computing-based framework facilitating high throughput sequencing analyses
inferredcites →https://doi.org/10.1109/ipdps.2014.88openalex-snapshot
MIC-SVM: Designing a Highly Efficient Support Vector Machine for Advanced Modern Multi-core and Many-Core Architectures
inferredcites →https://doi.org/10.1186/1471-2105-10-279openalex-snapshot
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services
inferredcites →https://doi.org/10.1186/1471-2105-13-42openalex-snapshot
Cloud BioLinux: pre-configured and on-demand bioinformatics computing for the genomics community
inferredcites →https://doi.org/10.1186/1471-2105-13-77openalex-snapshot
Tavaxy: Integrating Taverna and Galaxy workflows with cloud computing support
inferredcites →https://doi.org/10.1186/1471-2105-9-360openalex-snapshot
The C1C2: A framework for simultaneous model selection and assessment
inferredcites →https://doi.org/10.1186/1751-0473-7-1openalex-snapshot
Yabi: An online research environment for grid, high performance and cloud computing
inferredcites →https://doi.org/10.1186/2047-217x-2-9openalex-snapshot
Lessons learned from implementing a national infrastructure in Sweden for storage and analysis of next-generation sequencing data
inferredcites →https://doi.org/10.1186/gb-2009-10-11-r134openalex-snapshot
Searching for SNPs with cloud computing
inferredcites →https://doi.org/10.1186/gb-2010-11-5-207openalex-snapshot
The case for cloud computing in genome informatics
inferredcites →https://doi.org/10.1186/gb-2010-11-8-r83openalex-snapshot
Cloud-scale RNA-sequencing differential expression analysis with Myrna
inferredcites →https://doi.org/10.1186/gm124openalex-snapshot
The 1000 Genomes Project: new opportunities for research and social challenges
inferredcites →https://doi.org/10.1208/s12248-012-9358-1openalex-snapshot
Paradigm Shift in Toxicity Testing and Modeling
inferredcites →https://doi.org/10.1371/journal.pcbi.1002147openalex-snapshot
Biomedical Cloud Computing With Amazon Web Services
inferredcites →https://doi.org/10.2174/138161206777585274openalex-snapshot
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics
inferredcites →https://doi.org/10.2174/138161210792389252openalex-snapshot
Drug Discovery and Design for Complex Diseases through QSAR Computational Methods
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1007/978-3-030-69984-0_53openalex-snapshot
High-Performance Cloud Computing for Exhaustive Protein–Protein Docking
inferred← citeshttps://doi.org/10.1007/s12021-016-9315-8openalex-snapshot
Automating NEURON Simulation Deployment in Cloud Resources
inferred← citeshttps://doi.org/10.1016/j.jmgm.2020.107532openalex-snapshot
Evaluation of consensus scoring methods for AutoDock Vina, smina and idock
inferred← citeshttps://doi.org/10.1021/acs.jcim.9b01152openalex-snapshot
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations
inferred← citeshttps://doi.org/10.1063/5.0226437openalex-snapshot
Electronic structure simulations in the cloud computing environment
inferred← citeshttps://doi.org/10.1080/17460441.2021.1932812openalex-snapshot
The machine learning life cycle and the cloud: implications for drug discovery
inferred← citeshttps://doi.org/10.1146/annurev-physchem-061020-053438openalex-snapshot
Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing
inferred← citeshttps://doi.org/10.1186/s13321-016-0151-5openalex-snapshot
Large-scale ligand-based predictive modelling using support vector machines
inferred← citeshttps://doi.org/10.1186/s13321-017-0220-4openalex-snapshot
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
inferred← citeshttps://doi.org/10.1186/s13321-020-0408-xopenalex-snapshot
Towards reproducible computational drug discovery
inferred← citeshttps://doi.org/10.1504/ijbra.2018.10009206openalex-snapshot
Emerging trend of big data analytics in bioinformatics: a literature review
inferred← citeshttps://doi.org/10.2174/1381612822666160414142547openalex-snapshot
Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics
inferred← citeshttps://doi.org/10.7324/ijcrr.2017.9194openalex-snapshot
Prediction of Potential Lead Molecules through Systematic Integration of Multi-omics Datasets - A Mini-Review
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