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Published on: May 27, 2021
Chemistry Meets Biology: Cross-Disciplinary Evaluation of Drug Discovery Databases
Andrii V Kyrsanov1,2, Ihor V Tkachenko1, Nataliya A Shtil1
1Enamine Ltd., 78 Winston Churchill str., Kyiv 02094, Ukraine.
Abstract:
This study evaluates the utility of key biochemical databases in drug discovery through a crowd-reviewed analysis, focusing on their application in medicinal chemistry and drug discovery. The findings reveal substantial deviations in data accessibility and reliability across these databases, with specific challenges in integrating chemical and biological information. The results highlight the urgent need for better-structured and user-friendly databases to support the ever-evolving interdisciplinary demands of drug discovery while emphasizing improvements in database design to enhance predictive modeling and efficient data processing. The authors conducted a structured survey among students and researchers to assess data coverage, search functionality, and information quality and provided recommendations and suggestions for increasing their quality.
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