Data-Driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2023
- ACS Spring 2023
Publications
137 results for Teodoro Laino
Cloud-based AI-driven autonomous lab
- 2023
- APS March Meeting 2023
Tools for Synthesis Planning, Automation, and Analytical Data Analysis
- Miruna Cretu
- Marvin Alberts
- et al.
- 2023
- Chimia
Prediction of Phase Diagrams and Associated Phase Structural Properties
- Federico Zipoli
- Victor Viterbo
- et al.
- 2022
- MRS-J 2022
Enzeptional—Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022
Disconnection Aware Steering of Retrosynthesis Transformer to Facilitate Materials Design
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- MRS Fall Meeting 2022
Learning a Reactive Potential for Silica-Water Through Uncertainty Attribution
- Swagata Roy
- Johannes Duerholt
- et al.
- 2022
- MRS Fall Meeting 2022
Data-driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2022
- ChemRxiv
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- Daniel Probst
- Anastasia Sveshnikova
- et al.
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- ACS Fall 2022