Trust, but Verify: on the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

Overview

Journal J Chem Inf Model

Publisher American Chemical Society

Specialties Chemistry
Medical Informatics

Date 2010 Jun 25

PMID 20572635

Citations 262

Authors

Denis Fourches

Eugene Muratov

Alexander Tropsha

Affiliations

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Citing Articles

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Breaking the Phalanx: Overcoming Bacterial Drug Resistance with Quorum Sensing Inhibitors that Enhance Therapeutic Activity of Antibiotics.

Beasley J, Dorjsuren D, Jain S, Rath M, Tieghi R, Tropsha A bioRxiv. 2025; .

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MLinvitroTox reloaded for high-throughput hazard-based prioritization of high-resolution mass spectrometry data.

Arturi K, Harris E, Gasser L, Escher B, Braun G, Bosshard R J Cheminform. 2025; 17(1):14.

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Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery.

Paloncyova M, Valerio M, Dos Santos R, Kuhrova P, Srejber M, cechova P Mol Pharm. 2025; 22(3):1110-1141.

PMID: 39879096 PMC: 11881150. DOI: 10.1021/acs.molpharmaceut.4c00744.

Deep Multitask Learning-Driven Discovery of New Compounds Targeting .

de Almeida Santos E, Lemos J, Dos Santos Carvalho A, Mendonca de Melo F, Pereira E, Moreira-Filho J ACS Omega. 2025; 9(52):51271-51284.

PMID: 39758621 PMC: 11696749. DOI: 10.1021/acsomega.4c07994.

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