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Journal of Cheminformatics
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November 8, 2022
Development of machine learning classifiers to predict compound activity on prostate cancer cell lines
Davide Bonanni, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics
|
November 9, 2022
Naturally-meaningful and efficient descriptors: machine learning of material properties based on robust one-shot ab initio descriptors
Sherif Abdulkader Tawfik, Salvy P Russo
Journal of Cheminformatics
|
March 21, 2023
Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
Chaofeng Lou, Hongbin Yang, Hua Deng, et al.
Journal of Cheminformatics
|
February 21, 2023
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
Xuhan Liu, Kai Ye, Herman W T van Vlijmen, et al.
Journal of Cheminformatics
|
February 24, 2023
Double-head transformer neural network for molecular property prediction
Yuanbing Song, Jinghua Chen, Wenju Wang, et al.
Journal of Cheminformatics
|
March 2, 2023
PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Ammar Ammar, Rachel Cavill, Chris Evelo, et al.
Journal of Cheminformatics
|
March 22, 2023
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
Jonathan Lam, Richard J Lewis, Jonathan M Goodman
Journal of Cheminformatics
|
September 4, 2021
Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products
Jason Y C Tam, Tim Lorsbach, Sebastian Schmidt, et al.
Journal of Cheminformatics
|
September 7, 2021
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Fidele Ntie-Kang, Kiran K Telukunta, Serge A T Fobofou, et al.
Journal of Cheminformatics
|
February 4, 2023
SESNet: sequence-structure feature-integrated deep learning method for data-efficient protein engineering
Mingchen Li, Liqi Kang, Yi Xiong, et al.
Page
of 144
Search research articles
Search
Showing results (241-250 of 1,439) with videos related to
Sort By:
Page
of 144
Journal of Cheminformatics
|
November 8, 2022
Development of machine learning classifiers to predict compound activity on prostate cancer cell lines
Davide Bonanni, Luca Pinzi, Giulio Rastelli
Journal of Cheminformatics
|
November 9, 2022
Naturally-meaningful and efficient descriptors: machine learning of material properties based on robust one-shot ab initio descriptors
Sherif Abdulkader Tawfik, Salvy P Russo
Journal of Cheminformatics
|
March 21, 2023
Chemical rules for optimization of chemical mutagenicity via matched molecular pairs analysis and machine learning methods
Chaofeng Lou, Hongbin Yang, Hua Deng, et al.
Journal of Cheminformatics
|
February 21, 2023
DrugEx v3: scaffold-constrained drug design with graph transformer-based reinforcement learning
Xuhan Liu, Kai Ye, Herman W T van Vlijmen, et al.
Journal of Cheminformatics
|
February 24, 2023
Double-head transformer neural network for molecular property prediction
Yuanbing Song, Jinghua Chen, Wenju Wang, et al.
Journal of Cheminformatics
|
March 2, 2023
PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Ammar Ammar, Rachel Cavill, Chris Evelo, et al.
Journal of Cheminformatics
|
March 22, 2023
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
Jonathan Lam, Richard J Lewis, Jonathan M Goodman
Journal of Cheminformatics
|
September 4, 2021
Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products
Jason Y C Tam, Tim Lorsbach, Sebastian Schmidt, et al.
Journal of Cheminformatics
|
September 7, 2021
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
Fidele Ntie-Kang, Kiran K Telukunta, Serge A T Fobofou, et al.
Journal of Cheminformatics
|
February 4, 2023
SESNet: sequence-structure feature-integrated deep learning method for data-efficient protein engineering
Mingchen Li, Liqi Kang, Yi Xiong, et al.
Page
of 144