tailieuchung - Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

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Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

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Despite continued efforts using chemical similarity methods in virtual screening, currently developed approaches suffer from time-consuming multistep procedures and low success rates. We recently developed a machine learning-based chemical binding similarity model considering common structural features from molecules binding to the same, or evolutionarily related targets. |

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Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

Evolutionary chemical binding similarity approach integrated with 3D-QSAR method for effective virtual screening

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