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Employment (2)

Bayer AG: Monheim, Nordrhein-Westfalen, DE

2014-11-01 to present (Environmental Safety)
Employment
Source: Self-asserted source
Sebastian Schmidt

Ruprecht Karls Universität Heidelberg: Heidelberg, Baden-Württemberg, DE

2010 to 2014 (Fakultät für Chemie und Geowissenschaften)
Employment
Source: Self-asserted source
Sebastian Schmidt

Works (10)

XSMILES: interactive visualization for molecules, SMILES and XAI attribution scores

Journal of Cheminformatics
2023-01-06 | Journal article
DOI: 10.1186/s13321-022-00673-w
Part of ISSN: 1758-2946
Contributors: Henry Heberle; Linlin Zhao; Sebastian Schmidt; Thomas Wolf; Julian Heinrich
Source: Self-asserted source
Sebastian Schmidt

Modeling bioconcentration factors in fish with explainable deep learning

Artificial Intelligence in the Life Sciences
2022-12 | Journal article
DOI: 10.1016/j.ailsci.2022.100047
Contributors: Linlin Zhao; Floriane Montanari; Henry Heberle; Sebastian Schmidt
Source: check_circle
Crossref

Block‐wise Exploration of Molecular Descriptors with Multi‐block Orthogonal Component Analysis (MOCA)

Molecular Informatics
2022-05 | Journal article
DOI: 10.1002/minf.202100165
Contributors: Sebastian Schmidt; Michael Schindler; Lennart Eriksson
Source: check_circle
Crossref

Fish early life stage toxicity prediction from acute daphnid toxicity and quantum chemistry

SAR and QSAR in Environmental Research
2021 | Journal article
DOI: 10.1080/1062936X.2021.1874514
Source: Self-asserted source
Sebastian Schmidt
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Preferred source (of 2)‎

Holistic evaluation of biodegradation pathway prediction: assessing multi-step reactions and intermediate products

Journal of Cheminformatics
2021-12 | Journal article
DOI: 10.1186/s13321-021-00543-x
Part of ISSN: 1758-2946
Contributors: Jason Tam; Tim Lorsbach; Jörg S. Wicker; Sebastian Schmidt
Source: Self-asserted source
Sebastian Schmidt

Rhodium-Catalyzed Hydroformylation of 1,3-Butadiene to Adipic Aldehyde: Revealing Selectivity and Rate-Determining Steps

Organometallics
2015-03-09 | Journal article
DOI: 10.1021/om501015z
Part of ISSN: 0276-7333
Part of ISSN: 1520-6041
Source: Self-asserted source
Sebastian Schmidt

Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene

Organometallics
2014-11-10 | Journal article
DOI: 10.1021/om500643t
Part of ISSN: 0276-7333
Part of ISSN: 1520-6041
Source: Self-asserted source
Sebastian Schmidt

Density Functional Investigations of the Rh-Catalyzed Hydroformylation of 1,3-Butadiene with Bisphosphite Ligands

ACS Catalysis
2014-10-03 | Journal article
DOI: 10.1021/cs500718v
Part of ISSN: 2155-5435
Part of ISSN: 2155-5435
Source: Self-asserted source
Sebastian Schmidt

Iridium Models of Rhodium Intermediates in Hydroformylation Catalysis: Isolation and Molecular Structures of Fluxional ae and ee Isomers

Organometallics
2014-06-23 | Journal article
DOI: 10.1021/om401139u
Part of ISSN: 0276-7333
Part of ISSN: 1520-6041
Source: Self-asserted source
Sebastian Schmidt

Inter- and Intramolecular Interactions in Triptycene-Derived Bisphosphite Hydroformylation Catalysts: Structures, Energies, and Caveats for DFT-Assisted Ligand Design

Organometallics
2013-02-25 | Journal article
DOI: 10.1021/om301027x
Part of ISSN: 0276-7333
Part of ISSN: 1520-6041
Source: Self-asserted source
Sebastian Schmidt
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