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Amazon SageMaker is a fully-managed platform that enables developers and data scientists to quickly and easily build, train, and deploy machine learning models at any scale. With Amazon SageMaker, all the barriers and complexity that typically slow down developers who want to use machine learning are removed. The service includes models that can be used together or independently to build, train, and deploy your machine learning models.

Simple Chemistry Binding Predictor

By: KNIME Latest Version: 1.0

Product Overview

Predicts the binding of a chemical compound to the 5HT6 receptor based on CHEMBL Ki data. Provide the compound smiles data in JSON format. The model uses a simple logistic regression to make the predictions. The model was trained and is deployed using a KNIME workflow (

Key Data

Type Model Package
Fulfillment Methods Amazon SageMaker

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Fulfillment Methods

Amazon SageMaker

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Simple Chemistry Binding Predictor

Support for the open source KNIME Analytics Platform is available via our active community in the KNIME Forum.

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