Graph-based machine learning interprets and predicts diagnostic isomer-selective ion–molecule reactions in tandem mass spectrometry J Fine, JKY Liu, A Beck, KZ Alzarieni, X Ma, VM Boulos, HI Kenttämaa, ... Chemical Science 11 (43), 11849-11858, 2020 | 13 | 2020 |
Recent developments in machine learning for mass spectrometry AG Beck, M Muhoberac, CE Randolph, CH Beveridge, PR Wijewardhane, ... ACS Measurement Science Au 4 (3), 233-246, 2024 | 8* | 2024 |
Automated Bioanalytical Workflow for Ligand Binding-Based Pharmacokinetic Assay Development BR Evans, AG Beck, L Yeung, A Li, DH Lee, KP Bateman, G Chopra Analytical Chemistry 96 (1), 488-495, 2023 | 4 | 2023 |
Machine learning models and performance dependency on 2D chemical descriptor space for retention time prediction of pharmaceuticals AG Beck, J Fine, P Aggarwal, EL Regalado, D Levorse, JDJ Silva, ... Journal of Chromatography A 1730, 465109, 2024 | 1 | 2024 |
Dedenser: a Python command line tool for clustering and downsampling chemical libraries AG Beck, J Fine, Y Lam, EC Sherer, EL Regalado, P Aggarwal | | 2024 |
Digitally Enabled Generic Analytical Framework Accelerating the Pace of Liquid Chromatography Method Development for Vaccine Adjuvant Formulations M Hemida, RC Barrientos, C Kinsey, N Kuster, M Bhavsar, AG Beck, ... ACS Pharmacology & Translational Science 7 (10), 3108-3118, 2024 | | 2024 |
Predictions of Chromatography Methods by Chemical Structure Similarity to Accelerate High-Throughput Medicinal Chemistry J Wang, R Yen, AG Beck, P Aggarwal, M Kong, M Hayes, S Jabri, ... ACS Medicinal Chemistry Letters 15 (8), 1396-1401, 2024 | | 2024 |
Paddy: Evolutionary Optimization Algorithm for Chemical Systems and Spaces A Beck, J Fine, G Chopra arXiv preprint arXiv:2403.15101, 2024 | | 2024 |
BIT BY BIT CHEMISTRY: OPTIMIZATION AND AUTOMATION OF CHEMICAL SYSTEMS AG Beck Purdue University Graduate School, 2023 | | 2023 |
Big-data driven solvent selection via deep learning to facilitate the discovery of green synthetic methodology C Gaurav, A Beck American Chemical Society SciMeetings 1 (2), 2020 | | 2020 |
Synthesis of substituted cinnamyl bromides and aryl beta-keto esters toward a convergent total synthesis of naturally-occurring phosphodiesterase-9A inhibitors A Beck, M McEwan, K Perry, A Moyer, K Ring, J Carney ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |