Work

Additional file 2 of “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool

Year: 2021

Type: dataset

Abstract: Additional file 2: Table S1. Dataset of 816 COX-2 inhibitors in preclinical development or in a higher phase, described according to the nine molecular representations of “Molecular Anatomy”. Each compound and the related nine molecular representations are encoded as canonical SMILES and InChIKey, respectively, and are listed in the same row.

Source: Figshare

DOI: 10.6084/m9.figshare.15047883

Authors: Manelfi, Candida, Gemei, Marica, Talarico, Carmine, Cerchia, Carmen, Fava, Anna, Lunghini, Filippo, Beccari, Andrea Rosario

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: green

OpenAlex ID: W4394445238

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