rdkit find murcko scaffolds Search Results


rdkit find murcko scaffolds  (KNIME GmbH)
90
KNIME GmbH rdkit find murcko scaffolds
(A) Property differences between simple (S) and complex (M), (B) <t>Murcko</t> framework analysis comparing the value of an additional 6,000 complex compounds to an additional 6,000 simple compounds on a base of 24,000 simple compounds. The complex compounds add 15% more Murcko scaffolds and 50% more Murcko frameworks compared to the simple compounds.
Rdkit Find Murcko Scaffolds, 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+find+murcko+scaffolds/rdkit+find+murcko+scaffolds/pmc10752525-125-21-17
Average 90 stars, based on 1 article reviews
rdkit find murcko scaffolds - by Bioz Stars, 2026-11
90/100 stars
  Buy from Supplier

Image Search Results


(A) Property differences between simple (S) and complex (M), (B) Murcko framework analysis comparing the value of an additional 6,000 complex compounds to an additional 6,000 simple compounds on a base of 24,000 simple compounds. The complex compounds add 15% more Murcko scaffolds and 50% more Murcko frameworks compared to the simple compounds.

Journal: PLOS Neglected Tropical Diseases

Article Title: Design of the Global Health chemical diversity library v2 for screening against infectious diseases

doi: 10.1371/journal.pntd.0011799

Figure Lengend Snippet: (A) Property differences between simple (S) and complex (M), (B) Murcko framework analysis comparing the value of an additional 6,000 complex compounds to an additional 6,000 simple compounds on a base of 24,000 simple compounds. The complex compounds add 15% more Murcko scaffolds and 50% more Murcko frameworks compared to the simple compounds.

Article Snippet: A calculation of the number of unique Murcko [ ] frames done using RDKit as implemented in KNIME 21 using the ‘RDKit Find Murcko Scaffolds’ with the ‘Create Frameworks’ toggle set to OFF.

Techniques: