Small Molecule

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analysis of the attrition of drug candidates from four major pharmaceutical companies

Published by Macmillan Publishers Limited

Drug DiscoverySafety IssueSmall Molecule

This paper describes the compilation and analysis of combined data on the attrition of drug candidates from AstraZeneca, Eli Lilly and Company, GlaxoSmithKline and Pfizer. The analysis reaffirms that control of physicochemical properties during compound optimization is beneficial in identifying compounds of candidate drug quality and indicates for the first time a link between the physicochemical properties of compounds and clinical failure due to Safety Issues.

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Assay Development and Screening Technology (ADST)

Published by NCATS

High Throughput ScreeningNCATSSmall Molecule

One of the first steps in the drug development process is creating test systems — called assays — on which researchers assess the effects of chemical compounds on cellular, molecular or biochemical processes of interest. At NCATS, the experts in the Assay Development and Screening Technology (ADST) program work to optimize assays requested or submitted by the biomedical research community for high-throughput small-molecule screening

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PudChem

Published by NIH

Chemical StructurePatentPudChemSafetySmall MoleculeToxicology

PubChem is an open chemistry database at the National Institutes of Health (NIH). PubChem mostly contains Small Molecules, but also larger molecules such as nucleotides, carbohydrates, lipids, peptides, and chemically-modified macromolecules.It collects information on Chemical Structures, identifiers, chemical and physical properties, biological activities, patents, health, Safety, toxicity data, and many others

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A Specialized Platform for Innovative Research Exploration (ASPIRE)

Published by NCATS

ASPIREReproducibilitySmall Molecule

By addressing long-standing challenges in the field of chemistry, including lack of standardization, low Reproducibility and an inability to predict how new chemicals will behave, ASPIRE is designed to bring novel, safe and effective treatments to more patients more quickly at lower cost.

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The Assay Guidance Manual

Published by NIH

Drug Discovery GuidelineDrug RepurposingNCATSNIHResearch and Drug DevelopmentSmall MoleculeTarget Validation Drug Development

This manual is a comprehensive resource for early drug discovery, providing guidelines for developing therapeutic hypotheses, validating targets and pathways, and establishing proof of concept criteria. It includes analyses of costs at various stages of drug development. The content encompasses critical decision-making points in New Chemical Entity (NCE) development, exploratory Investigational New Drug (IND) processes, and orphan drug designation. Furthermore, it delves into Drug Repurposing and drug delivery technologies, making it an invaluable guide for professionals initiating new drug discovery and development programs.

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