Search

5 results in Authors: Alexandra Wahab

Organic Chemistry

Predi-XY: A Python Program for Automated Generation of NICS-XY-Scans Based on an Additivity Scheme

Alexandra Wahab, Felix Fleckenstein, Stefan Feusi, Renana Gershoni-Poranne

Version 1 posted 30 September 2020

573

Downloads

Theoretical and Computational Chemistry

COMPAS-3: a Data Set of peri-Condensed Polybenzenoid Hydrocarbons

Alexandra Wahab, Renana Gershoni-Poranne

Version 1 posted 26 February 2024

149

Downloads

Materials Chemistry

Revealing Structure-Property Relationships in Polybenzenoid Hydrocarbons with Interpretable Machine-Learning

Shachar Fite, Alexandra Wahab, Eno Paenurk, Zeev Gross, Renana Gershoni-Poranne

Version 1 posted 16 May 2022

322

Downloads

1

Citations

Organic Chemistry

Interpretable Deep-Learning Unveils Structure-Property Relationships in Polybenzenoid Hydrocarbons

Tomer Weiss, Alexandra Wahab, Alex M. Bronstein, Renana Gershoni-Poranne

Version 1 posted 25 May 2022

571

Downloads

2

Citations

Organic Chemistry

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-condensed Polybenzenoid Hydrocarbons

Alexandra Wahab, Lara Pfuderer, Eno Paenurk, Renana Gershoni-Poranne

Version 1 posted 27 April 2022

522

Downloads

1

Citations