المؤلفون: Benjamin Kaufman, Edward C. Williams, Carl Underkoffler, Ryan Pederson, Narbe Mardirossian, Ian Watson, John Parkhill

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Pharmacology, Biotechnology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, using contrastive learning, novel metadynamics algorithm, low computation cost, invertible vector representation, effectively infinite space, druglike chemical space, universal molecular embedding, force molecular generation, simultaneously optimize properties, multiparameter optimization task, multimodal contrastive pretraining, accelerated therapeutic inference, realistic accessible molecules, generative optimization using, four integrated features, coati possesses many, quantitative data sets, present contrastive optimization, proprietary data collected

Relation: https://figshare.com/articles/journal_contribution/COATI_Multimodal_Contrastive_Pretraining_for_Representing_and_Traversing_Chemical_Space/25150025

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01753.s001
https://figshare.com/articles/journal_contribution/COATI_Multimodal_Contrastive_Pretraining_for_Representing_and_Traversing_Chemical_Space/25150025

المؤلفون: Benjamin Kaufman, Edward C. Williams, Carl Underkoffler, Ryan Pederson, Narbe Mardirossian, Ian Watson, John Parkhill

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Pharmacology, Biotechnology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, using contrastive learning, novel metadynamics algorithm, low computation cost, invertible vector representation, effectively infinite space, druglike chemical space, universal molecular embedding, force molecular generation, simultaneously optimize properties, multiparameter optimization task, multimodal contrastive pretraining, accelerated therapeutic inference, realistic accessible molecules, generative optimization using, four integrated features, coati possesses many, quantitative data sets, present contrastive optimization, proprietary data collected

Relation: https://figshare.com/articles/journal_contribution/COATI_Multimodal_Contrastive_Pretraining_for_Representing_and_Traversing_Chemical_Space/25150025

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01753.s001