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Search results for cheminformatics qsar
cheminformatics
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qsar
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9 search results found
Release
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232
Deep Reinforcement Learning for de-novo Drug Design
Clamp
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71
Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
Pyada
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20
A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.
Genui
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19
The backend services of the GenUI framework. The backend provides the REST API used for molecular generation, QSAR modelling and chemical space visualization.
Qsprpred
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14
A tool for creating Quantitative Structure Property Relationship (QSPR) models.
Genui Gui
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13
GenUI frontend application. It provides a GUI to the GenUI REST API web services.
Spectrafp
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7
A package to perform fingerprints from spectroscopy datas.
Pysirc
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5
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
Genui Docker
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5
A repository to build and deploy GenUI docker images. GenUI is a collection of web services for interactive molecular generation, QSAR modelling and chemical space visualization.
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Python Qsar (13)
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