Daniil A. Boiko

According to our database, Daniil A. Boiko authored at least 7 papers between 2023 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

onepot CORE - an enumerated chemical space to streamline drug discovery, enabled by automated small molecule synthesis and AI.

Andrei S. Tyrin, Brandon Wang, Manuel Muñoz, Samuel H. Foxman, Daniil A. Boiko

CoRR, January, 2026

2025

Rethinking chemical research in the age of large language models.

Robert MacKnight, Daniil A. Boiko, Jose Emilio Regio, Liliana C. Gallegos, Théo A. Neukomm, Gabe Gomes

Nat. Comput. Sci., September, 2025

2024

Build-a-Bio-Strip: An Online Platform for Rapid Toxicity Assessment in Chemical Synthesis.

Dmitry S. Boichenko, Nikita I. Kolomoets, Daniil A. Boiko, Alexey S. Galushko, Alexandra V. Posvyatenko, Andrey E. Kolesnikov, Ksenia S. Egorova, Valentine P. Ananikov

J. Chem. Inf. Model., 2024

Advancing Molecular Machine (Learned) Representations with Stereoelectronics-Infused Molecular Graphs.

Daniil A. Boiko, Thiago Reschützegger, Benjamín Sánchez-Lengeling, Samuel M. Blau, Gabe Gomes

CoRR, 2024

Machine learning meets mass spectrometry: a focused perspective.

Daniil A. Boiko, Valentine P. Ananikov

CoRR, 2024

2023

Autonomous chemical research with large language models.

Daniil A. Boiko, Robert MacKnight, Ben Kline, Gabe Gomes

Nat., 2023

Emergent autonomous scientific research capabilities of large language models.

Daniil A. Boiko, Robert MacKnight, Gabe Gomes

CoRR, 2023