arXiv (OAI Expanded)
open access
Exploring Optimal Parameters for Ligand-Based Virtual Screening in Early Drug Discovery
Ligand-based virtual screening depends on choices that are often treated as implementation details, including the similarity threshold, fingerprint setting and atom-invariant scheme. We examined how these choices altered the composition of ranked searches against the Enamine library for four aminerg
Conceptio Open Archive
Analyze & explore related research in Conceptio
Connect this record directly into your research workflow or AI agent. Explore citations across open repositories, query full text, and export structured proof bundles.
This document is indexed with metadata only: full text is not available in the archive for this record. Open the official source ↗
Related documents
- New approach methodologies for drug discovery.#165627
- Calibrated Weighted Rank Aggregation for Virtual Screening Independently Rediscovers Privileged Vitamin D Receptor Ligand Scaffolds.#368050
- Modernising antiviral drug discovery: harnessing medicinal plants through machine learning and metabolomics to target the SARS-CoV-2 main protease.#30571
- Cyclic Peptides in Modern Drug Discovery: Trends and Therapeutic Directions.#472450
- From data to discovery: The rise of information-theoretic predictive models in drug development.#122800
Record · ID 1110719
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Retrieved via Conceptio: every document is proof-bundled with source, license, and retrieval metadata.
Bring this data into your agent: Connect via MCP or API · 20 free credits to start · no card required
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive
Read the Docs → · View CLI source on GitHub · Conceptio Open Knowledge Archive