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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Data-driven organic solub" (30 stories)

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Dataset of solubility values for organic compounds in binary mixtures of solvents at various temperatures
Lead StoryNatureworld
Mar 20

Dataset of solubility values for organic compounds in binary mixtures of solvents at various temperatures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBrU2tCSTQ2a0xtMUZtR3p4QkctWl9xd3JVS3JFM25PVDVVQzNFbzgyb3FtRFB2M1VDbzRhdk5jUDdkOTlmUEVOcUxVWmlPbjNPRm5ONGw2Qk1tU0lzcTlR?oc=5" target="_blank">Dataset of solubility values for organic compounds in binary mixtures of solvents at various temperatures</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Data-driven organic solub"

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Development and evaluation of an effective solubility prediction model for pharmaceuticals in organic solvents using machine learning based on eXtreme Gradient Boosting
Naturegeneral

Development and evaluation of an effective solubility prediction model for pharmaceuticals in organic solvents using machine learning based on eXtreme Gradient Boosting

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5xNnB6X3FCbGI0NU9hdUVjOE04djgydnA1cXFmSkp0S0JPR1NTOENSQnFBdjhINm9mSzJSTXJjdm9fQjMxY3ZjLWFqZmxuLUk4WE9XdlFSN3IzN1hYSHM4?oc=5" target="_blank">Development and evaluation of an effective solubility prediction model for pharmaceuticals in organic solvents using machine learning based on eXtreme Gradient Boosting</a>  <font color="#6f6f6f">Nature</font>

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A new model predicts how molecules will dissolve in different solvents
MIT Newsgeneral

A new model predicts how molecules will dissolve in different solvents

<a href="https://news.google.com/rss/articles/CBMioAFBVV95cUxOSWJVVXRWRnVNajJlcFo1ZnFRcmtRSzBLejhDaTNrZUhVQ2NLdm1xdm1XcXNJaVpSUjBRdkFMVVVQS3BrQkhFMGJIZjVTTXlxZ0IzZ3NOZlBxRmZBWVU4VXdaMEc2STNraHhZSHotWGVZb1UzR2NuVklTbld6Ul9UaDJ4MEVYT2tLVDNpcWVzUjdCVnhGXzdSbFQyTE9USFhU?oc=5" target="_blank">A new model predicts how molecules will dissolve in different solvents</a>  <font color="#6f6f6f">MIT News</font>

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Data-driven organic solubility prediction at the limit of aleatoric uncertainty
Naturetech

Data-driven organic solubility prediction at the limit of aleatoric uncertainty

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9uLVBNaHdFMkFBT2VqaThZVGczSXNQVi1mRkRyZDFuYU9RSmlQZ0xmMERVNExna2M4UVR2OXd5MzdnWEZPWnJQbHVSdzY4eVliblRGUzQ2R2Z5UHZNYm9N?oc=5" target="_blank">Data-driven organic solubility prediction at the limit of aleatoric uncertainty</a>  <font color="#6f6f6f">Nature</font>

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A high-throughput experimentation platform for data-driven discovery in electrochemistry
Science | AAASgeneral

A high-throughput experimentation platform for data-driven discovery in electrochemistry

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFAxcDRObnYtbEJPVVM4NGlSeUtGcmxSMi12R2RPWHFiVno2b1JJaldmWmNPSVZ1ZXRBVllWVUdXVzRlRXkwd3JlV0VYck9yN3RjRW1reE91ck9Ec2FrNnYw?oc=5" target="_blank">A high-throughput experimentation platform for data-driven discovery in electrochemistry</a>  <font color="#6f6f6f">Science | AAAS</font>

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Data-driven modeling of supercritical CO₂ processing with optimized machine learning: prediction of clobetasol propionate solubility
Frontiersgeneral

Data-driven modeling of supercritical CO₂ processing with optimized machine learning: prediction of clobetasol propionate solubility

<a href="https://news.google.com/rss/articles/CBMijgFBVV95cUxQT2tFSlg4X2tkcGo5VVZMTmdFQjBUek4tLTFjV3N6ZXJ3LW1oWGpWSzhvSXZaYXd1Q0pNZk5XS1BYSXBsRFRtRHcwaWYxX3VWR0RPSW1laW10QkF3NnZfSFBUNURlMnZWU2JuSXJtWmxDZG1EajloVlRoWnptQjFxc1JwSnNZWm5sZ0l5Q1d3?oc=5" target="_blank">Data-driven modeling of supercritical CO₂ processing with optimized machine learning: prediction of clobetasol propionate solubility</a>  <font color="#6f6f6f">Frontiers</font>

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Physics-informed deep learning for molecular solubility prediction: integrating thermodynamic constraints with neural network architectures
Naturetech

Physics-informed deep learning for molecular solubility prediction: integrating thermodynamic constraints with neural network architectures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE84VVktNmtuUjFsX1NqbTh0Rkxfb2xPZUJRbHM3dUpVZFF3TWtYQkg2N2ZTVTBWZHJGWmtDTXVPTjVwRnozb19MeDJyM29oOEhaMmxSYmg2RFFmMFNSZWxz?oc=5" target="_blank">Physics-informed deep learning for molecular solubility prediction: integrating thermodynamic constraints with neural network architectures</a>  <font color="#6f6f6f">Nature</font>

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Accelerating supercritical pharmaceutical formulation via interpretable data-driven prediction of drug solubility
Naturegeneral

Accelerating supercritical pharmaceutical formulation via interpretable data-driven prediction of drug solubility

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBMRDlkeXlSU1ViX2JPWkFLRUxTNkVNUVZCeUx0d2xNcjNSUjdDZ0x4RW8wa2EtWVlYOGNrY2pJTHVHUlN4eDFMSjlHYkV0TmxUZWViZXRDQXFGb08zMlFv?oc=5" target="_blank">Accelerating supercritical pharmaceutical formulation via interpretable data-driven prediction of drug solubility</a>  <font color="#6f6f6f">Nature</font>

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Salicylate-based biocompatible ionic liquids as selective modulators of antineoplastic agents cisplatin and doxorubicin
Naturegeneral

Salicylate-based biocompatible ionic liquids as selective modulators of antineoplastic agents cisplatin and doxorubicin

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE14cTdtYkd5V01FaWd6UDkwN19wdXJKeXVnVkM3NVdWU29qU0J2SzVWMFM4MGtXV29WUlNUM2FTWDdSMTkya3Mwa0I5ZHJCR2plNGFBZGdrR3NxVXNHN0s4?oc=5" target="_blank">Salicylate-based biocompatible ionic liquids as selective modulators of antineoplastic agents cisplatin and doxorubicin</a>  <font color="#6f6f6f">Nature</font>

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Discovery of tunable and soluble organic emitters for solid-state lasers with a self-driving laboratory
Natureworld

Discovery of tunable and soluble organic emitters for solid-state lasers with a self-driving laboratory

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9yOVVKc3FSdHowWXU3WGUwN1FpX3BXQlM4Y0NvSlJrRklBVGxHREZjc1Z1M2NGY2NoQnFaZDlobEZtb0ZfeFVOMUtwbEFSMXlDTUI4dmhPQ2dYYUI4Um13?oc=5" target="_blank">Discovery of tunable and soluble organic emitters for solid-state lasers with a self-driving laboratory</a>  <font color="#6f6f6f">Nature</font>

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BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures
Natureworld

BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5vc1JZSnYxTUNReVFMYTlCLVhPWlRDS3paSDZKSXh5bVdabE95WWJnWE11NlR5MmVVNjRSSFpIVm1hbjZRLXpNMW5NaEtLdll4WFZaaElEZ0tNUXJfQVkw?oc=5" target="_blank">BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures</a>  <font color="#6f6f6f">Nature</font>

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Autonomous platforms for data-driven organic synthesis
Naturegeneral

Autonomous platforms for data-driven organic synthesis

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE56ejZpRFpINHh4Q2wtQlVxdzBQZTFUSnVVM0xFZUN0N3FtbXVHWWs2QlY4RFJSbWhiOXJ4WXNXaEFreGNYSk5BT3d2OHZSNGhfMTV3dE56bGNnQ0ZHNXVJ?oc=5" target="_blank">Autonomous platforms for data-driven organic synthesis</a>  <font color="#6f6f6f">Nature</font>

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Data-driven predictions of complex organic mixture permeation in polymer membranes
Naturegeneral

Data-driven predictions of complex organic mixture permeation in polymer membranes

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBqZHZ4Mnc3N0hqZno2RUxGcUlJOGxjOWhTRUpEdFZzNnhEOVVoMjV4Q2gybWVQVjdlbEQ5SE05T1pTN3dWVVhKeHVqOGpEaXZIekR6T01RVi1GSXBheFJ3?oc=5" target="_blank">Data-driven predictions of complex organic mixture permeation in polymer membranes</a>  <font color="#6f6f6f">Nature</font>

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SOMAS: a platform for data-driven material discovery in redox flow battery development | Scientific Data
Naturegeneral

SOMAS: a platform for data-driven material discovery in redox flow battery development | Scientific Data

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5xNXY4ZXduQ1lGVmFiS3I1MkE2SEw3a0NnMGhTU2VGbDhRMU1uWmp0d28tM2ZEc3BjSlMxVmtzYmVUbUxLRjA2dE5DQ1dSSzI4ODBsTExGc2JGenpFSmtj?oc=5" target="_blank">SOMAS: a platform for data-driven material discovery in redox flow battery development | Scientific Data</a>  <font color="#6f6f6f">Nature</font>

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Optimization algorithm for improving the prediction accuracy of API solubility in green solvent
Naturegeneral

Optimization algorithm for improving the prediction accuracy of API solubility in green solvent

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE0xN09iaDBOVWg0MjFCLUU5ZDlsU3NHT0NSZ29fS2NBUmNaYTdvclpUUzBrTFQ1dGJZVzVieHZIUmJnREl3bnZTSVBGQUZCUGxUWC0xNHd0UzcwU3UxQmk0?oc=5" target="_blank">Optimization algorithm for improving the prediction accuracy of API solubility in green solvent</a>  <font color="#6f6f6f">Nature</font>

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Will we ever be able to accurately predict solubility? - Scientific Data
Naturegeneral

Will we ever be able to accurately predict solubility? - Scientific Data

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5CdzlRWTdNUHNSaEFrOEZUWHd6VDBmYmt2dzZFb2k1S1RmWHA4OExILURzTDUwbkJDaEY1em9RWjR3cjJ5ZmZBcFdSeWJCWEYyWEhmNEUwRWtYekJNQ25F?oc=5" target="_blank">Will we ever be able to accurately predict solubility? - Scientific Data</a>  <font color="#6f6f6f">Nature</font>

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An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations
Naturegeneral

An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1zaU1kdS0tYjRUU0hFNWViM2x6TG9LNnVLVk5maWhpQjdwNk5QWVVXdVdKNERhM1Y5QXZwNll3djU4VTkwZHB0c3o1WE1MX0JMQmNvdTR5RWg5SGJKUHVV?oc=5" target="_blank">An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations</a>  <font color="#6f6f6f">Nature</font>

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The art of precision in unveiling hydrogen solubility in bines through data-driven modeling
Natureworld

The art of precision in unveiling hydrogen solubility in bines through data-driven modeling

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5vWlRtaFFja1k3RklfalZRMGFMVnhuY0k1dDAtcnFMUVlUNzBhVTBWUlhlSXpjbHRyUFdIY0ZOSmtmZXhJOVBLcE1BTTlwRzVDQ1FjQ25BX3I3dlBvUGp3?oc=5" target="_blank">The art of precision in unveiling hydrogen solubility in bines through data-driven modeling</a>  <font color="#6f6f6f">Nature</font>

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Automated machine-learning framework for predicting drug solubility in supercritical CO
Naturegeneral

Automated machine-learning framework for predicting drug solubility in supercritical CO

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1IQ1VodHdSNFBvaDU3bWYwaUJKYzhTdEpZeERWRTc5eDV6akxJTVlFNHdMcnVnNDFlQXZTVTFNX0FyYUp4QlhSUWhnVWQwVGJKdEcyNlVaTFhnd0pTWFNZ?oc=5" target="_blank">Automated machine-learning framework for predicting drug solubility in supercritical CO</a>  <font color="#6f6f6f">Nature</font>

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A semi-automated material exploration scheme to predict the solubilities of tetraphenylporphyrin derivatives
Naturegeneral

A semi-automated material exploration scheme to predict the solubilities of tetraphenylporphyrin derivatives

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1DX2VndFRmalJORlRualpqSC1Ia1U3RnpQem45ZFE1WTEzNkl2Szd1NkpJazVxSHNCQ3lFcWhuZWJ1T0FlTmJURE1BQ3BRTlpQUG5va2JoS2x0Qjdvd0tV?oc=5" target="_blank">A semi-automated material exploration scheme to predict the solubilities of tetraphenylporphyrin derivatives</a>  <font color="#6f6f6f">Nature</font>

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AI-driven robotic chemist for autonomous synthesis of organic molecules
Science | AAAStech

AI-driven robotic chemist for autonomous synthesis of organic molecules

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBLZHR1dHA3cTBHZFlMSlVneDFwRHAwbVVVMEItLXFWY24tSWU0VFZUSmR2YzBjVHBQd2EtTEY5TUgzVkNDYTFsRUNCTThuQnJaRWRPVldqVk5KV3A3NHFV?oc=5" target="_blank">AI-driven robotic chemist for autonomous synthesis of organic molecules</a>  <font color="#6f6f6f">Science | AAAS</font>

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Development of several machine learning based models for determination of small molecule pharmaceutical solubility in binary solvents at different temperatures
Naturegeneral

Development of several machine learning based models for determination of small molecule pharmaceutical solubility in binary solvents at different temperatures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9McXRzUFU3eU83eGxnS3kyRTI0ZkhDYlB2aUxFeHlGbE5hY3U0R0F3OGhScUowd2Q4MlR5QWxvYnZWVWJvNGRfTnpEejNnMkJ2RDdJcVNBYi1fd21oaHF3?oc=5" target="_blank">Development of several machine learning based models for determination of small molecule pharmaceutical solubility in binary solvents at different temperatures</a>  <font color="#6f6f6f">Nature</font>

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Decomposing the molecular complexity and transformation of dissolved organic matter for innovative anaerobic bioprocessing
Naturegeneral

Decomposing the molecular complexity and transformation of dissolved organic matter for innovative anaerobic bioprocessing

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBlclMzaVRRLU1QdWlXOVhNVlY4cEN5T1lfdmR4RlF3cDJvdWJvanQ2Y0pMN3kwQ0FxaWhMWlBhZWdNakFXaTN4Wm5EMFVmUldTUVFyYlduT0xoWG9ZMXFj?oc=5" target="_blank">Decomposing the molecular complexity and transformation of dissolved organic matter for innovative anaerobic bioprocessing</a>  <font color="#6f6f6f">Nature</font>

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Predicting drug solubility in binary solvent mixtures using graph convolutional networks: a comprehensive deep learning approach
Naturegeneral

Predicting drug solubility in binary solvent mixtures using graph convolutional networks: a comprehensive deep learning approach

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFA1R1NiS1ZVWFhseWM3emJONW5NV0FCMDZQX3Rydy1UOTUxWXNlUmJDLWJWZ2I2VUF6a3Vqb2RXR0dkT01mYTdSTWRkRlRkS1h2WDZRYzV0VXdrRlRuRHZV?oc=5" target="_blank">Predicting drug solubility in binary solvent mixtures using graph convolutional networks: a comprehensive deep learning approach</a>  <font color="#6f6f6f">Nature</font>

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Modeling and optimization of hydrogenation for crude oil by estimating hydrogen solubility in the solvent at different temperatures
Frontiersgeneral

Modeling and optimization of hydrogenation for crude oil by estimating hydrogen solubility in the solvent at different temperatures

<a href="https://news.google.com/rss/articles/CBMikAFBVV95cUxPWXhIeThPN251YVFHSmNQcm1pemM0UVZjNU1ONlhCei0tYzJOeGM0RUgwWl9EWDVkSXY0cnlaR3VFNmU5Tl9TM19fMk4wX3JSN3l0dkZVYzk1dlNvZTRCVmZVVWtpdHgyY0s1NG0yX1dCbjFuZWdKRmNLMFFhLVloZmw0UFJnNjlQeUxQcDJOdlk?oc=5" target="_blank">Modeling and optimization of hydrogenation for crude oil by estimating hydrogen solubility in the solvent at different temperatures</a>  <font color="#6f6f6f">Frontiers</font>

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Computational machine learning estimation of digitoxin solubility in supercritical solvent at different temperatures utilizing ensemble methods
Naturegeneral

Computational machine learning estimation of digitoxin solubility in supercritical solvent at different temperatures utilizing ensemble methods

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9nTnNBbEd0a3R3QnZPcUY3am96VFl1cGJwQzZiRE5XTXhTb2tYX1FRZUZZZ0QweDJBTEJjQjhscTZMZ0gxRXNNYkFHd2c0VVZsZGhheXd6dXRVTE43NTk0?oc=5" target="_blank">Computational machine learning estimation of digitoxin solubility in supercritical solvent at different temperatures utilizing ensemble methods</a>  <font color="#6f6f6f">Nature</font>

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Intelligence computational analysis of letrozole solubility in supercritical solvent via machine learning models
Naturegeneral

Intelligence computational analysis of letrozole solubility in supercritical solvent via machine learning models

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBna3Jjc1dKaS1sYV8xRU1CZHlBbENFeTU0T3lkQTRZblp3cllHSE50QllGTHQwUTY2UjUxdDU2Vm5zUFZBQWtkRFU5N0hvR25FWEhNRnVTRUI5QUJVUlFJ?oc=5" target="_blank">Intelligence computational analysis of letrozole solubility in supercritical solvent via machine learning models</a>  <font color="#6f6f6f">Nature</font>

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Accelerating the discovery of acceptor materials for organic solar cells by deep learning
Naturegeneral

Accelerating the discovery of acceptor materials for organic solar cells by deep learning

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBpOFR6YzZBRjlPMmV2aS1LVVQyQmVpRlhTYVZWaWlFX21fR0Z6V1pnVFlxZng5bzMxV2w3emtoMWxmZTFNVlhIdW5GXzZEeDBDSVJ0TC12NWhqa3dXcTVr?oc=5" target="_blank">Accelerating the discovery of acceptor materials for organic solar cells by deep learning</a>  <font color="#6f6f6f">Nature</font>

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PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase
Naturegeneral

PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFA3UjNNN19rU25FN0NNRTFvOVc2U0hqalRYeFViTWFsWVVJRXVzTjFiQlM0aFhOZ2Nwa2JIRk5rVHlEdzc3SXZLc2IwWGI5S3doTkFCQnNQd2NTTHJXWEVJ?oc=5" target="_blank">PredPotS: web tool for predicting one-electron standard reduction potentials for organic molecules in aqueous phase</a>  <font color="#6f6f6f">Nature</font>

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AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
Natureworld

AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds

<a href="https://news.google.com/rss/articles/CBMiXkFVX3lxTE9LV05jZk1xVEdaZFlHOGZ4U19neXBNal8zYXN0ajRoV1dOTG5IUTNOcmtWTmVVOUF5NnZMRE5pd3dNamJfdHVDYml2UUlyMGFPU05YMlZSakJZUU5wT2c?oc=5" target="_blank">AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds</a>  <font color="#6f6f6f">Nature</font>

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