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LiSIs: An Online Scientific Workflow System for Virtual Screening.
Kannas CC, Kalvari I, Lambrinidis G, Neophytou CM, Savva CG, Kirmitzoglou I, Antoniou Z, Achilleos KG, Scherf D, Pitta CA, Nicolaou CA, Mikros E, Promponas VJ, Gerhauser C, Mehta RG, Constantinou AI, Pattichis CS. Kannas CC, et al. Comb Chem High Throughput Screen. 2015;18(3):281-95. doi: 10.2174/1386207318666150305123341. Comb Chem High Throughput Screen. 2015. PMID: 25747448
AI-assisted synthesis prediction.
Johansson S, Thakkar A, Kogej T, Bjerrum E, Genheden S, Bastys T, Kannas C, Schliep A, Chen H, Engkvist O. Johansson S, et al. Drug Discov Today Technol. 2019 Dec;32-33:65-72. doi: 10.1016/j.ddtec.2020.06.002. Epub 2020 Jul 11. Drug Discov Today Technol. 2019. PMID: 33386096 Review.