Publications on Chemical Cognition Lab https://7c18d165.website-dbr.pages.dev/publications/ Recent content in Publications on Chemical Cognition Lab Hugo -- gohugo.io en beangoben@gmail.com (Benjamin Sánchez-Lengeling) beangoben@gmail.com (Benjamin Sánchez-Lengeling) © 2026 Benjamin Sánchez-Lengeling Tue, 01 Dec 2026 00:00:00 +0000 TasteBench: Multimodal Benchmark for Sensory Prediction, from Molecules to Sustainable Foods https://7c18d165.website-dbr.pages.dev/publications/thomas2026tastebench/ Tue, 01 Dec 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/thomas2026tastebench/ kinGEMs: A scalable framework for resource-constrained models through stochastic tuning of deep learning-predicted kinetic parameters https://7c18d165.website-dbr.pages.dev/publications/barghout2026kingems/ Tue, 06 Oct 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/barghout2026kingems/ A semantic-based community model for high-fidelity tuning of olfactory mixture distances https://7c18d165.website-dbr.pages.dev/publications/satarifard2026semantic/ Sat, 01 Aug 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/satarifard2026semantic/ Artificial intelligence for food innovation https://7c18d165.website-dbr.pages.dev/publications/datta2026artificial/ Wed, 01 Jul 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/datta2026artificial/ Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs https://7c18d165.website-dbr.pages.dev/publications/sivonxay2026gradient/ Thu, 01 Jan 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/sivonxay2026gradient/ TubercuProbe: A cross-attention graph-sequence model for cross-species chemoproteomic discovery in Mycobacterium tuberculosis https://7c18d165.website-dbr.pages.dev/publications/chalamalasetty2026tubercuprobe/ Thu, 01 Jan 2026 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/chalamalasetty2026tubercuprobe/ CheMixHub: Datasets and benchmarks for chemical mixture property prediction https://7c18d165.website-dbr.pages.dev/publications/rajaonson2025chemixhub/ Mon, 01 Dec 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/rajaonson2025chemixhub/ Graph Data Modeling: Molecules, Proteins, & Chemical Processes https://7c18d165.website-dbr.pages.dev/publications/barrazachavez2025graph/ Mon, 01 Sep 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/barrazachavez2025graph/ Does this smell the same? Learning representations of olfactory mixtures using inductive biases https://7c18d165.website-dbr.pages.dev/publications/tom2025olfactory/ Fri, 01 Aug 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/tom2025olfactory/ Ranking over regression for Bayesian optimization and molecule selection https://7c18d165.website-dbr.pages.dev/publications/tom2025ranking/ Fri, 01 Aug 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/tom2025ranking/ A deep learning and digital archaeology approach for mosquito repellent discovery https://7c18d165.website-dbr.pages.dev/publications/chemsenses2025repellents/ Tue, 01 Jul 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/chemsenses2025repellents/ Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs https://7c18d165.website-dbr.pages.dev/publications/reschuetzegger2025stereoelectronics/ Wed, 01 Jan 2025 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/reschuetzegger2025stereoelectronics/ Delocalized, asynchronous, closed-loop discovery of organic laser emitters https://7c18d165.website-dbr.pages.dev/publications/striethkalthoff2024delocalized/ Wed, 01 May 2024 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/striethkalthoff2024delocalized/ Perspective on AI for accelerated materials design at the AI4Mat-2023 workshop at NeurIPS 2023 https://7c18d165.website-dbr.pages.dev/publications/miret2024perspective/ Wed, 01 May 2024 00:00:00 +0000 beangoben@gmail.com (Benjamin Sánchez-Lengeling) https://7c18d165.website-dbr.pages.dev/publications/miret2024perspective/