All screening libraries

All screening libraries

File#	Size	Descriptions	Download
All Screening compounds	575302 compounds Update: 2025-01	All screening compounds.
All Libraries File#1 (1/3) BioDesign Library	170269 compounds Update: 2025-01	File#1 contains “BioDesign” library. Our “BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates. Our research shows that saturated fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. We deliberately introduced these highly privileged elements in the design of novel synthetic molecules to deliver screening compounds with a higher level of saturation (av.Fsp3>0.5), multiple chiral centers (av.≥2), and a high diversity of natural product-like frameworks.
All Libraries File#2 (2/3) Elite Library Synergy Library	91001 compounds Update: 2025-01	File#2 contains “lead-like” compounds, also known as “Elite Library®” and "Synergy Library." These compounds have been screened against a panel of early ADMET tests (including DMSO and water solubility, PAMPA, PGP and CYP inhibition) to make sure screening hits are devoid of potential ADMET problems and are amenable for rapid hit-to-lead optimization.
All Libraries File#3 (3/3) Gold & Platinum Collections	261120 compounds Update: 2025-01	File#3 contains “historical”compounds, also known as “Gold and Platinum Collections.” It provides diverse and cost effective coverage of drug-like chemical space. The majority of compounds have a high degree of drug-likeness, in accordance with Lipinski's Rule of 5.

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