Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions
Daniyar Mazitov, Timur Gimadiev, Assima Poyezzhayeva, Valentina Afonina, Timur Madzhidov · 2025
Read Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions by Daniyar Mazitov, Timur Gimadiev, Assima Poyezzhayeva, Valentina Afonina, Timur Madzhidov (2025) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-12786955.txt.
Description
Picking the right conditions for a chemical reaction, the catalyst, the temperature, the pressure, is slow trial-and-error work. Daniyar Mazitov and co-authors train a generative model in this 2025 paper that proposes whole sets of suitable conditions for hydrogenation reactions in one go.
Their model learns the spread of workable options, so it can offer varied but valid recipes without combing through endless combinations. They test three versions of its inner randomness on data sets of very different sizes. One version proved most reliable across repeated guesses. The approach beat leading rivals and could speed up synthesis planning.
Catalog record
| CREATOR | Daniyar Mazitov, Timur Gimadiev, Assima Poyezzhayeva, Valentina Afonina, Timur Madzhidov |
|---|---|
| YEAR | 2025 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 67 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |