Fanwang Meng, Ph.D.

Affiliations:	2016-		McMaster University, Hamilton, ON, Canada
	2022-		Massachusetts Institute of Technology, Cambridge, MA, United States

machine learning, computational drug design

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Sánchez Díaz G, Richer M, Martínez González M, et al. (2025) AtomDB: A Python Library and Database for Atomic and Promolecular Properties. The Journal of Physical Chemistry. A. 129: 2598-2611
Warapande V, Meng F, Bozan A, et al. (2025) Identification of Antituberculars with Favorable Potency and Pharmacokinetics through Structure-Based and Ligand-Based Modeling. Biorxiv : the Preprint Server For Biology
Ai Q, Meng F, Wang R, et al. (2024) Schedule optimization for chemical library synthesis. Digital Discovery
Ai Q, Meng F, Shi J, et al. (2024) Extracting structured data from organic synthesis procedures using a fine-tuned large language model. Digital Discovery
Meng F, Xi Y, Huang J, et al. (2021) A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors. Scientific Data. 8: 289
Verstraelen T, Adams W, Pujal L, et al. (2020) IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files. Journal of Computational Chemistry