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Analytical Chemistry

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Biological and Medicinal Chemistry

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Organic Chemistry

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Theoretical and Computational Chemistry

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Keywords

drug-likeness

Authors

4 results in Keywords: drug-likeness

Theoretical and Computational Chemistry

Assessing Methods and Obstacles in Chemical Space Exploration

Shawn Reeves, Benjamin DiFrancesco, Vijay Shahani, Stephen S. MacKinnon, Andreas Windemuth, Andrew E. Brereton

Version 3 posted 23 October 2020

699

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Biological and Medicinal Chemistry

Prediction of Drug-likeness of Central Nervous System Drug Candidates Using a Feed-Forward Neural Network Based on Chemical Structure

Yi-Gao Yuan, Xiao Wang

Version 2 posted 31 August 2020

720

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Theoretical and Computational Chemistry

Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2)

Konstantinos Kalamatianos

Version 1 posted 24 March 2021

700

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Analytical Chemistry

Novelty and Coverage: An Integrated Metric Addressing Quality Trade-offs in AI-Generated Compounds for Drug Discovery

suhyeon Jin, Boram Lee, Kyoungyeul Lee, Dongsup Kim

Version 1 posted 18 July 2024

102

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