Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design

• Karolina Kwapien,
• Eva Nittinger,
• Jiazhen He,
• Christian Margreitter,
• Alexey Voronov,
• Christian Tyrchan

Affiliations

Karolina Kwapien

Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden

Eva Nittinger

Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden

Jiazhen He

Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden

Christian Margreitter

Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden

Alexey Voronov

Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden

Christian Tyrchan

Medicinal Chemistry, Research and Early Development, Respiratory and Immunology (R&I), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden