The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons A Wahab, L Pfuderer, E Paenurk, R Gershoni-Poranne Journal of Chemical Information and Modeling 62 (16), 3704-3713, 2022 | 15 | 2022 |
Interpretable deep-learning unveils structure–property relationships in polybenzenoid hydrocarbons T Weiss, A Wahab, AM Bronstein, R Gershoni-Poranne The Journal of Organic Chemistry 88 (14), 9645-9656, 2023 | 8 | 2023 |
Predi-XY: a python program for automated generation of NICS-XY-scans based on an additivity scheme A Wahab, F Fleckenstein, S Feusi, R Gershoni-Poranne Electronic Structure 2 (4), 047002, 2020 | 8 | 2020 |
Text‐based representations with interpretable machine learning reveal structure–property relationships of polybenzenoid hydrocarbons S Fite, A Wahab, E Paenurk, Z Gross, R Gershoni‐Poranne Journal of Physical Organic Chemistry 36 (1), e4458, 2023 | 7 | 2023 |
COMPAS-3: a Data Set of peri-Condensed Polybenzenoid Hydrocarbons A Wahab, R Gershoni-Poranne | | 2024 |
Exploring the Uncharted Chemical Space of Polybenzenoid Hydrocarbons A Wahab ETH Zurich, 2023 | | 2023 |