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Davy Guan

Showing results (1-10 of 10) with videos related to

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Journal of Computer-Aided Molecular Design|January 16, 2020
LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge moleculesDavy Guan, Raymond Lui, Slade Matthews
Chemical Research in Toxicology|July 21, 2023
Mechanistic Task Groupings Enhance Multitask Deep Learning of Strain-Specific Ames MutagenicityRaymond Lui, Davy Guan, Slade Matthews
Journal of Computer-Aided Molecular Design|January 15, 2020
A comparison of molecular representations for lipophilicity quantitative structure-property relationships with results from the SAMPL6 logP Prediction ChallengeRaymond Lui, Davy Guan, Slade Matthews
Current Research in Toxicology|July 18, 2024
Low-cost quantum mechanical descriptors for data efficient skin sensitization QSAR modelsDavy Guan, Raymond Lui, Slade T Mattthews
Regulatory Toxicology and Pharmacology : RTP|January 17, 2018
Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity predictionDavy Guan, Kevin Fan, Ian Spence, et al.
Data in Brief|March 9, 2018
QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicityDavy Guan, Kevin Fan, Ian Spence, et al.
Chemical Research in Toxicology|July 21, 2023
Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular SpeciesSamuel V Feeney, Raymond Lui, Davy Guan, et al.
Drug Discovery Today|March 1, 2022
Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidatesJosé L Medina-Franco, Edgar López-López, Emma Andrade, et al.
RSC Medicinal Chemistry|May 12, 2025
Organoselenium compounds as an enriched source for the discovery of new antimicrobial agentsLouise I M Friberg, Angela Kavanagh, Maite Amado, et al.
Journal of Medicinal Chemistry|November 8, 2021
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel AntimalarialsEdwin G Tse, Laksh Aithani, Mark Anderson, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Computer-Aided Molecular Design|January 16, 2020
LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge moleculesDavy Guan, Raymond Lui, Slade Matthews
Chemical Research in Toxicology|July 21, 2023
Mechanistic Task Groupings Enhance Multitask Deep Learning of Strain-Specific Ames MutagenicityRaymond Lui, Davy Guan, Slade Matthews
Journal of Computer-Aided Molecular Design|January 15, 2020
A comparison of molecular representations for lipophilicity quantitative structure-property relationships with results from the SAMPL6 logP Prediction ChallengeRaymond Lui, Davy Guan, Slade Matthews
Current Research in Toxicology|July 18, 2024
Low-cost quantum mechanical descriptors for data efficient skin sensitization QSAR modelsDavy Guan, Raymond Lui, Slade T Mattthews
Regulatory Toxicology and Pharmacology : RTP|January 17, 2018
Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity predictionDavy Guan, Kevin Fan, Ian Spence, et al.
Data in Brief|March 9, 2018
QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicityDavy Guan, Kevin Fan, Ian Spence, et al.
Chemical Research in Toxicology|July 21, 2023
Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular SpeciesSamuel V Feeney, Raymond Lui, Davy Guan, et al.
Drug Discovery Today|March 1, 2022
Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidatesJosé L Medina-Franco, Edgar López-López, Emma Andrade, et al.
RSC Medicinal Chemistry|May 12, 2025
Organoselenium compounds as an enriched source for the discovery of new antimicrobial agentsLouise I M Friberg, Angela Kavanagh, Maite Amado, et al.
Journal of Medicinal Chemistry|November 8, 2021
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel AntimalarialsEdwin G Tse, Laksh Aithani, Mark Anderson, et al.
Pageof 1