R. Jang

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Data Curation & Synthetic Data (1)Scientific Discovery & Drug Design (1)

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Roland G. St. Michel (1)Ryan J. Jang (1)Aaron G. Garrison (1)Ilia Kevlishvili (1)Heather J. Kulik (1)

Papers (1)

Apr 7, 2026

Roland G. St. Michel +5Apr 7, 2026

The BOS-Lig Dataset: Accurate Ligand Charges from a Consensus Approach for 66,810 Experimentally Synthesized Ligands

Forget hand-waving about ligand charges: this dataset provides experimentally-grounded charges for over 66,000 ligands, unlocking new possibilities for computational screening of transition metal complexes.

Roland G. St. Michel, R. Jang, Ryan J. Jang +3

Data Curation & Synthetic Data Scientific Discovery & Drug Design

R. Jang

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R. Jang

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