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Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction.

, , and . J. Chem. Inf. Model., 61 (12): 5948-5966 (2021)

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Incremental Parsing by Modular Recurrent Connectionist Networks, and . Advances in Neural Information Processing Systems 2, San Francisco, CA: Morgan Kaufmann, (1990)JANUS: Speech-to-Speech Translation Using Connectionist and Non-Connectionist Techniques, , , , , , , , and . Advances in Neural Information Processing Systems 4, San Francisco, CA: Morgan Kaufmann, (1992)Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities.. J. Comput. Aided Mol. Des., 10 (5): 427-440 (1996)QMOD: physically meaningful QSAR.. J. Comput. Aided Mol. Des., 24 (10): 865-878 (2010)Incremental Parsing by Modular Recurrent Connectionist Networks., and . NIPS, page 364-371. Morgan Kaufmann, (1989)Wavelet Transforms for the Analysis of Microarray Experiments., , , and . CSB, page 429-430. IEEE Computer Society, (2003)Deriving quantitative conclusions from microarray expression data., and . Bioinform., 18 (7): 961-970 (2002)A Comparison of Dynamic Reposing and Tangent Distance for Drug Activity Prediction., , , and . NIPS, page 216-223. Morgan Kaufmann, (1993)Generalization Performance in PARSEC - A Structured Connectionist Parsing Architecture.. NIPS, page 209-216. Morgan Kaufmann, (1991)A Connectionist Parser Aimed at Spoken Language., and . IWPT, page 221-229. Carnegy Mellon University / ACL, (1989)