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Journal of Cheminformatics
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May 25, 2026
Integrating chemical structure and high-throughput transcriptomics for mechanistically interpretable Tox21 bioactivity prediction
Guillaume Cattebeke, Anne-Sofie Vermeersch, Davie Cappoen, et al.
Journal of Cheminformatics
|
May 26, 2026
Predicting fire consequences with the transformer model based on multimodal feature fusion
Yilin Wang, Beibei Wang, Xiaolu Wang, et al.
Journal of Cheminformatics
|
May 22, 2026
ExPO: an exposure-conditioned neural operator for L1000 signature prediction
Austin Spadaro, Alok Sharma, Iman Dehzangi
Journal of Cheminformatics
|
May 30, 2026
Assessing the factors influencing the quality of pocket-conditioned 3D generative models
Kunyu Wang, Helen Lai, Ross Irwin, et al.
Journal of Cheminformatics
|
June 4, 2026
Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships
Ryuto Abe, Tomoyuki Miyao, Jürgen Bajorath
Journal of Cheminformatics
|
February 4, 2016
Fragmentation trees reloaded
Sebastian Böcker, Kai Dührkop
Journal of Cheminformatics
|
November 1, 2017
G.A.M.E.: GPU-accelerated mixture elucidator
Alioune Schurz, Bo-Han Su, Yi-Shu Tu, et al.
Journal of Cheminformatics
|
May 29, 2026
Efficient fine-tuning of vision-language adapters in chemical VLMs for molecular image-text tasks
Hyukjun Choi, Donghyeon Lee, Juyoung Kang
Journal of Cheminformatics
|
June 12, 2026
MutAIverse: an AI-powered, mechanism-backed platform for discovering novel DNA adducts and their precursor genotoxins
Shiva Satija, Sanjay Kumar Mohanty, Sachin B Jorvekar, et al.
Journal of Cheminformatics
|
July 3, 2026
Computational design of low-volatility lubricants for space using interpretable machine learning
Daniel Miliate, Ashlie Martini
Page
of 137
Search research articles
Search
Showing results (651-660 of 1,363) with videos related to
Sort By:
Page
of 137
Journal of Cheminformatics
|
May 25, 2026
Integrating chemical structure and high-throughput transcriptomics for mechanistically interpretable Tox21 bioactivity prediction
Guillaume Cattebeke, Anne-Sofie Vermeersch, Davie Cappoen, et al.
Journal of Cheminformatics
|
May 26, 2026
Predicting fire consequences with the transformer model based on multimodal feature fusion
Yilin Wang, Beibei Wang, Xiaolu Wang, et al.
Journal of Cheminformatics
|
May 22, 2026
ExPO: an exposure-conditioned neural operator for L1000 signature prediction
Austin Spadaro, Alok Sharma, Iman Dehzangi
Journal of Cheminformatics
|
May 30, 2026
Assessing the factors influencing the quality of pocket-conditioned 3D generative models
Kunyu Wang, Helen Lai, Ross Irwin, et al.
Journal of Cheminformatics
|
June 4, 2026
Accurate prediction of activity cliff compounds based on bioactivity profiles depends on assay nearest neighbor relationships
Ryuto Abe, Tomoyuki Miyao, Jürgen Bajorath
Journal of Cheminformatics
|
February 4, 2016
Fragmentation trees reloaded
Sebastian Böcker, Kai Dührkop
Journal of Cheminformatics
|
November 1, 2017
G.A.M.E.: GPU-accelerated mixture elucidator
Alioune Schurz, Bo-Han Su, Yi-Shu Tu, et al.
Journal of Cheminformatics
|
May 29, 2026
Efficient fine-tuning of vision-language adapters in chemical VLMs for molecular image-text tasks
Hyukjun Choi, Donghyeon Lee, Juyoung Kang
Journal of Cheminformatics
|
June 12, 2026
MutAIverse: an AI-powered, mechanism-backed platform for discovering novel DNA adducts and their precursor genotoxins
Shiva Satija, Sanjay Kumar Mohanty, Sachin B Jorvekar, et al.
Journal of Cheminformatics
|
July 3, 2026
Computational design of low-volatility lubricants for space using interpretable machine learning
Daniel Miliate, Ashlie Martini
Page
of 137