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Articles · Rebeauty Atlas

BIO TCH MED SCI

GI Giovanni Cincilla · Low Code for Data Science

From Target to Molecular Series: Introducing the Target-Driven Bioactivity and Molecular Series…

Discover an open source KNIME workflow that retrieves ChEMBL bioactivity data and organise compounds into molecular series for SAR analysis

Jun 30, 2026 · 16 min read · 1 claps #drug-discovery #life-sciences #cheminformatics

From Target to Molecular Series: Introducing the Target-Driven Bioactivity and Molecular Series…

BIO MED SCI

GI Giovanni Cincilla · Low Code for Data Science

ChEMBL DB Connection: A Gateway to Unlocking ChEMBL in KNIME Workflows

Step-by-Step Setup with PostgreSQL and SQLite

Feb 10, 2026 · 8 min read · 54 claps #knime #chembl #cheminformatics

ChEMBL DB Connection: A Gateway to Unlocking ChEMBL in KNIME Workflows

MED

GI Giovanni Cincilla · Low Code for Data Science

Assessing Target Tractability: A Hands-On KNIME Workflow Powered by UniProt, ChEMBL, PDB, and Open…

Applied to an ADOA Case Study

Nov 12, 2025 · 13 min read · 55 claps #drug-discovery #cheminformatics #chembl

Assessing Target Tractability: A Hands-On KNIME Workflow Powered by UniProt, ChEMBL, PDB, and Open…

BIO MED

GI Giovanni Cincilla · Low Code for Data Science

Unveiling Biological Targets with KNIME

A Hands-On Workflow Powered by ChEMBL Data

Jun 13, 2025 · 9 min read · 76 claps #drug-discovery #cheminformatics #knime

TCH AI

HA Harke Harkema

Ingesting the ChEMBL database into Snowflake with Snowpark Container Services

Snowpark Container Services (SPCS) represents a major advancement in Snowflake’s vision of the modern Data Cloud. This capability enables…

Jun 10, 2025 · 7 min read · 7 claps #chembl #snowpark-container #snowflake

Ingesting the ChEMBL database into Snowflake with Snowpark Container Services

BIO SCI TCH

TO Tom Nijhof-Verhees · Neo4j Developer Blog

Combining 3 Biochemical Datasets in a Graph Database

The open measurement graph will be used to find connections between different measurements in different experiments and conditions. In a…

Oct 03, 2022 · 6 min read · 68 claps #neo4j #nci60 #graph-database

CH Chiwon Son · Standigm

RDKit을 활용한 ChEMBL 분자들 사이의 유사도 검색

분자 유사도(molecular similarity)는 화학정보학(cheminformatics) 분야에서 관심있는 연구 주제 중 하나입니다. 이 문서에서는 ChEMBL 데이터베이스에서 분자 데이터를 가져와 RDKit을 활용하여 한 쌍의 분자에 대한…

Jul 13, 2022 · 26 min read · 2 claps #chembl #rdkit #molecular-similarity

MED

SR Sriram

Using ChEMBL-SQL database for Molecular Data Curation

ChEMBL database is the primary source of data for doing any large-scale analysis in early Drug Discovery. Accessing data from ChEMBL is…

Nov 16, 2021 · 2 min read · 54 claps #cheminformatics #drug-discovery #postgresql

HUM AI

AS ASLAN

Analysis of ChEMBL COVID-19 Dataset using basic ML Techniques

This article aims to build conventional machine learning models in python languages, such as Random Forest and Linear Regression, to…

Dec 30, 2020 · 10 min read · 298 claps #chembl #linear-regression-python #multiple-linearregression