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Journal of cheminformatics

Showing results (661-670 of 1,363) with videos related to

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Journal of Cheminformatics|April 8, 2023
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed moleculesXiaohong Liu, Wei Zhang, Xiaochu Tong, et al.
Journal of Cheminformatics|July 7, 2026
Smiles-based bioactivity prediction through molecular encoder selection and data augmentationJu Hyung Lee, Seongik Choi, Utku Ozbulak, et al.
Journal of Cheminformatics|June 23, 2026
Transformer-accelerated discovery of inhibitors targeting the RpsA<sub>Δ438</sub> deletion in PZA-resistant tuberculosisJiazhuo Xiao, Muhammad Shahab, Haoke Zhang, et al.
Journal of Cheminformatics|March 16, 2022
Improving the performance of models for one-step retrosynthesis through re-rankingMin Htoo Lin, Zhengkai Tu, Connor W Coley
Journal of Cheminformatics|June 26, 2026
Sampling out-of-distribution chemical spaces via Bayesian flowNianze Tao, Minori Abe
Journal of Cheminformatics|November 14, 2021
Deep scaffold hopping with multimodal transformer neural networksShuangjia Zheng, Zengrong Lei, Haitao Ai, et al.
Journal of Cheminformatics|November 28, 2021
MERMAID: an open source automated hit-to-lead method based on deep reinforcement learningDaiki Erikawa, Nobuaki Yasuo, Masakazu Sekijima
Journal of Cheminformatics|November 24, 2018
Implicit-descriptor ligand-based virtual screening by means of collaborative filteringRaghuram Srinivas, Pavel V Klimovich, Eric C Larson
Journal of Cheminformatics|March 15, 2019
Exploring the GDB-13 chemical space using deep generative modelsJosep Arús-Pous, Thomas Blaschke, Silas Ulander, et al.
Journal of Cheminformatics|March 16, 2019
CRFVoter: gene and protein related object recognition using a conglomerate of CRF-based toolsWahed Hemati, Alexander Mehler
Pageof 137

Showing results (661-670 of 1,363) with videos related to

Sort By:
Pageof 137
Journal of Cheminformatics|April 8, 2023
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed moleculesXiaohong Liu, Wei Zhang, Xiaochu Tong, et al.
Journal of Cheminformatics|July 7, 2026
Smiles-based bioactivity prediction through molecular encoder selection and data augmentationJu Hyung Lee, Seongik Choi, Utku Ozbulak, et al.
Journal of Cheminformatics|June 23, 2026
Transformer-accelerated discovery of inhibitors targeting the RpsA<sub>Δ438</sub> deletion in PZA-resistant tuberculosisJiazhuo Xiao, Muhammad Shahab, Haoke Zhang, et al.
Journal of Cheminformatics|March 16, 2022
Improving the performance of models for one-step retrosynthesis through re-rankingMin Htoo Lin, Zhengkai Tu, Connor W Coley
Journal of Cheminformatics|June 26, 2026
Sampling out-of-distribution chemical spaces via Bayesian flowNianze Tao, Minori Abe
Journal of Cheminformatics|November 14, 2021
Deep scaffold hopping with multimodal transformer neural networksShuangjia Zheng, Zengrong Lei, Haitao Ai, et al.
Journal of Cheminformatics|November 28, 2021
MERMAID: an open source automated hit-to-lead method based on deep reinforcement learningDaiki Erikawa, Nobuaki Yasuo, Masakazu Sekijima
Journal of Cheminformatics|November 24, 2018
Implicit-descriptor ligand-based virtual screening by means of collaborative filteringRaghuram Srinivas, Pavel V Klimovich, Eric C Larson
Journal of Cheminformatics|March 15, 2019
Exploring the GDB-13 chemical space using deep generative modelsJosep Arús-Pous, Thomas Blaschke, Silas Ulander, et al.
Journal of Cheminformatics|March 16, 2019
CRFVoter: gene and protein related object recognition using a conglomerate of CRF-based toolsWahed Hemati, Alexander Mehler
Pageof 137