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active learning strategies

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4 results in Keywords: active learning strategies

Theoretical and Computational Chemistry

Actively Searching: Inverse Design of Novel Molecules with Simultaneously Optimized Properties

Nicolae C. Iovanac, Robert MacKnight, Brett Savoie

Version 1 posted 24 May 2021

450

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Analytical Chemistry

Inquiry-Based Labs Using Paper Microfluidic Devices: The MICRO Project

Rachel Roller, Saichon Sumantakul, Michelle Tran, Andrea Van Wyk, Jessica Zinna, Destiny Donelson, Sarah Finnegan, Gregory Foley, Olivia Frechette, Jessica Gaetgens, Jiani Jing, Katheryn Rinaolo, Renée Cole, Marya Lieberman, Vincent Remcho, Kimberley Frederick

Version 1 posted 06 May 2021

359

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3

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Theoretical and Computational Chemistry

Efficient Exploration of Chemical Space with Docking and Deep-Learning

Ying Yang, Kun Yao, Matthew P. Repasky, Karl Leswing, Robert Abel, Brian Shoichet, Steven Jerome

Version 1 posted 04 March 2021

4,622

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2

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Materials Chemistry

A Self-Improving Photosensitizer Discovery System via Bayesian Optimization and Quantum Chemical Calculation

Shidang Xu, Jiali Li, Pengfei Cai, Xiaoli Liu, Bin Liu, Xiaonan Wang

Version 1 posted 11 June 2021

386

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