Review

rdkit diversity picker node (KNIME GmbH)

About

News

Press Release

Team

Advisors

Partners

Contact

Bioz Stars

Bioz vStars

Buy from Supplier

Structured Review

KNIME GmbH rdkit diversity picker node
Rdkit Diversity Picker Node, supplied by KNIME GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/rdkit+node/rdkit+diversity+picker+node/pm40611790-60-17-22
Average 90 stars, based on 1 article reviews

rdkit diversity picker node - by Bioz Stars, 2026-11

90/100 stars

Images

other:

Article Title: Large-scale evaluation of cytochrome P450 2C9 mediated drug interaction potential with machine learning-based consensus modeling
Article Snippet: Having a balanced dataset, the same number of inactives were selected by the Diversity Picker node (RDKit extension) in KNIME based on the MaxMin algorithm [ ].

Article Title: Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors.
Article Snippet: The Benchmark data set contained 117,500 chemically diverse compounds, selected from the Mcule-in-stock data set with the RDKit Diversity Picker node in KNIME.

Article Title: Ensemble of structure and ligand-based classification models for hERG liability profiling
Article Snippet: Specifically, the test set compounds were chosen by using the Diversity Picker node of RDKit as implemented in KNIME to select molecules diverse from those used in the learning phase.

Selection:

Article Title: Consensus Virtual Screening Identified [1,2,4]Triazolo[1,5‐ b ]isoquinolines As MELK Inhibitor Chemotypes
Article Snippet: .. [ , ] In the next step, the RDKit Diversity picker node was used in KNIME (version 4.3.2) for the selection of fifty diverse compounds based on their fingerprints and the calculated Tanimoto distances. ..

Permeability:

Article Title: Using in vitro ADME Data for Lead Compound Selection: An Emphasis on PAMPA pH 5 Permeability and Oral Bioavailability
Article Snippet: .. Retaining all minority class (i.e., low permeability) compounds, a structurally diverse set of majority class compounds that is double the size of minority class was obtained using RDKit Diversity Picker node in KNIME. ..

Generated:

Article Title: The Catch-22 of Predicting hERG Blockade Using Publicly Accessible Bioactivity Data.
Article Snippet: Subscriber access provided by UNIVERSITY OF TOLEDO LIBRARIES is published by the American Chemical Society.. 1155 Sixteenth Street N.W., Washington, DC 20036 Published by American Chemical Society.. Copyright © American Chemical Society.