rdkit Search Results


rdkit  (SourceForge net)
90
SourceForge net rdkit
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit, supplied by SourceForge net, 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/result/rdkit/product/SourceForge net
Average 90 stars, based on 1 article reviews
rdkit - by Bioz Stars, 2026-05
90/100 stars
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rdkit nodes  (KNIME GmbH)
90
KNIME GmbH rdkit nodes
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Nodes, 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/result/rdkit nodes/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit nodes - by Bioz Stars, 2026-05
90/100 stars
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rdkit  (KNIME GmbH)
90
KNIME GmbH rdkit
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit, 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/result/rdkit/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit - by Bioz Stars, 2026-05
90/100 stars
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rdkit fingerprint  (KNIME GmbH)
90
KNIME GmbH rdkit fingerprint
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Fingerprint, 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/result/rdkit fingerprint/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit fingerprint - by Bioz Stars, 2026-05
90/100 stars
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rdkit 2018.09.01  (KNIME GmbH)
90
KNIME GmbH rdkit 2018.09.01
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit 2018.09.01, 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/result/rdkit 2018.09.01/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit 2018.09.01 - by Bioz Stars, 2026-05
90/100 stars
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research development kit rdkit nodes for  (KNIME GmbH)
90
KNIME GmbH research development kit rdkit nodes for
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Research Development Kit Rdkit Nodes For, 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/result/research development kit rdkit nodes for/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
research development kit rdkit nodes for - by Bioz Stars, 2026-05
90/100 stars
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rdkit two component reaction node  (KNIME GmbH)
90
KNIME GmbH rdkit two component reaction node
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Two Component Reaction 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/result/rdkit two component reaction node/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit two component reaction node - by Bioz Stars, 2026-05
90/100 stars
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rdkit  (ChemAxon LLC)
90
ChemAxon LLC rdkit
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit, supplied by ChemAxon LLC, 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/result/rdkit/product/ChemAxon LLC
Average 90 stars, based on 1 article reviews
rdkit - by Bioz Stars, 2026-05
90/100 stars
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cheminformatics platforms rdkit  (KNIME GmbH)
90
KNIME GmbH cheminformatics platforms rdkit
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Cheminformatics Platforms Rdkit, 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/result/cheminformatics platforms rdkit/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
cheminformatics platforms rdkit - by Bioz Stars, 2026-05
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rdkit substructure filter  (KNIME GmbH)
90
KNIME GmbH rdkit substructure filter
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Substructure Filter, 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/result/rdkit substructure filter/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit substructure filter - by Bioz Stars, 2026-05
90/100 stars
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rdkit implementation of bemis–murcko decomposition  (Bemis Inc)
90
Bemis Inc rdkit implementation of bemis–murcko decomposition
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Implementation Of Bemis–Murcko Decomposition, supplied by Bemis Inc, 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/result/rdkit implementation of bemis–murcko decomposition/product/Bemis Inc
Average 90 stars, based on 1 article reviews
rdkit implementation of bemis–murcko decomposition - by Bioz Stars, 2026-05
90/100 stars
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rdkit descriptor  (KNIME GmbH)
90
KNIME GmbH rdkit descriptor
Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.
Rdkit Descriptor, 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/result/rdkit descriptor/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
rdkit descriptor - by Bioz Stars, 2026-05
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Image Search Results


Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.

Journal: Journal of computer-aided molecular design

Article Title: D3R Grand Challenge 3: Blind Prediction of Protein-Ligand Poses and Affinity Rankings

doi: 10.1007/s10822-018-0180-4

Figure Lengend Snippet: Top 3 submissions, based on Kendall’s τ, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.

Article Snippet: 0.23 , docking performed with smina static binary available at https//sourceforge.net/projects/smina/files/ with default scoring function, then rescoring performed using gnina commit b3fa6ae13fc6b42924f49b2d751d68f1bc14bc08 available from https//github.com/gnina/gnina and the default cnn scoring model, conformer generation performed with rdkit via https//github.com/dkoes/rdkit-scripts/rdconf.py , ensemble of receptors chosen via pocketome. , J. Sunseri/D. Koes , University of Pittsburgh , vshma.

Techniques: Software

Top 3 submissions, based on Matthews correlation coefficient, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.

Journal: Journal of computer-aided molecular design

Article Title: D3R Grand Challenge 3: Blind Prediction of Protein-Ligand Poses and Affinity Rankings

doi: 10.1007/s10822-018-0180-4

Figure Lengend Snippet: Top 3 submissions, based on Matthews correlation coefficient, for each affinity ranking challenge. Submission ID in bold font indicates a method that used machine learning. See for details.

Article Snippet: 0.23 , docking performed with smina static binary available at https//sourceforge.net/projects/smina/files/ with default scoring function, then rescoring performed using gnina commit b3fa6ae13fc6b42924f49b2d751d68f1bc14bc08 available from https//github.com/gnina/gnina and the default cnn scoring model, conformer generation performed with rdkit via https//github.com/dkoes/rdkit-scripts/rdconf.py , ensemble of receptors chosen via pocketome. , J. Sunseri/D. Koes , University of Pittsburgh , vshma.

Techniques: Software