Characterization of small molecule latent spaces derived from a variety of generative molecule creation approaches
- 2023
- ACS Fall 2023
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402 results for Generative AI
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- Seung Gu Kang
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- ACS Spring 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Enzeptional—Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- 2022
- MRS Fall Meeting 2022
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- Seung Gu Kang
- 2022
- ACS Fall 2022
CASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- 2022
- ACS Fall 2022
Regression Transformer - Blending Numerical and Textual Tokens for Concurrent Property Predicition and Conditional Generation
- 2022
- MRS Spring Meeting 2022
AI assisted design and synthesis of materials with targeted properties
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2021
- ACS Fall 2021
Topology-Driven Completion of Chemical Data
- Dmitry Zubarev
- Petar Ristoski
- 2021
- APS March Meeting 2021