Emergent autonomous scientific research capabilities of large language models. - Daniil A. Boiko; Robert MacKnight; Gabe Gomes (CoRR, 2023)

Autonomous chemical research with large language models. - Daniil A. Boiko; Robert MacKnight; Ben Kline; Gabe Gomes (Nat., 2023)

Machine learning meets mass spectrometry: a focused perspective. - Daniil A. Boiko; Valentine P. Ananikov (CoRR, 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)

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)