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Molecular Generation of Non-covalent KRAS Inhibitor Candidates Using Machine Learning on Elix Discovery™
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Efficient and Scalable Framework for Activity Prediction with kMol
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Benchmarking Deployed Generative Models on Elix Discovery
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Active Learning via Incremental Revelation: Dipeptidyl Peptidase-4 Inhibitors Case Study
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SmilesFormer: Language Model for Molecular Design
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Hit to Lead Discovery of Benzylpiperidine Acetylcholinesterase Inhibitors Using Generative Models: a Restrospective Case Study
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Evaluating Computer-assisted Single-step Retrosynthesis
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An Elix Discovery™ Case Study: Rediscovering Donepezil with an In-house Generative Model
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An Elix Discovery™ Case Study: Virtual Screening with Confidence Scores
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