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h5 指数:27
h5 中位数:44

h5 指数是指在过去整整 5 年中所发表文章的 h 指数。h 指在 2018-2022 年间发表的 h 篇文章每篇至少都被引用过 h 次的最大值。隐藏

出版物的 h5 中位数，是指出版物的 h5 指数所涵盖的所有文章获得的引用次数的中位值。隐藏

#20 Medicinal Chemistry

标题/作者	引用次数	年份
Molecular graph convolutions: moving beyond fingerprints S Kearnes, K McCloskey, M Berndl, V Pande, P Riley Journal of Computer-Aided Molecular Design 30 (8), 595-608	520	2016
Guidelines for the analysis of free energy calculations PV Klimovich, MR Shirts, DL Mobley Journal of Computer-Aided Molecular Design 29 (5), 397-411	230	2015
D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions S Gathiaka, S Liu, M Chiu, H Yang, JA Stuckey, YN Kang, J Delproposto, ... Journal of Computer-Aided Molecular Design 30 (9), 651-668	112	2016
Overview of the SAMPL5 host–guest challenge: Are we doing better? J Yin, NM Henriksen, DR Slochower, MR Shirts, MW Chiu, DL Mobley, ... Journal of Computer-Aided Molecular Design 31 (1), 1-19	104	2017
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies Z Gaieb, S Liu, S Gathiaka, M Chiu, H Yang, C Shao, VA Feher, ... Journal of Computer-Aided Molecular Design 32 (1), 1-20	103	2018
Activity, assay and target data curation and quality in the ChEMBL database G Papadatos, A Gaulton, A Hersey, JP Overington Journal of Computer-Aided Molecular Design 29 (9), 885-896	84	2015
Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge CC Bannan, KH Burley, M Chiu, MR Shirts, MK Gilson, DL Mobley Journal of Computer-Aided Molecular Design 30 (11), 927-944	72	2016
1001 Ways to run AutoDock Vina for virtual screening MM Jaghoori, B Bleijlevens, SD Olabarriaga Journal of Computer-Aided Molecular Design 30 (3), 237-249	60	2016
Molden 2.0: quantum chemistry meets proteins G Schaftenaar, E Vlieg, G Vriend Journal of Computer-Aided Molecular Design 31 (9), 789-800	57	2017
Bayesian molecular design with a chemical language model H Ikebata, K Hongo, T Isomura, R Maezono, R Yoshida Journal of Computer-Aided Molecular Design 31 (4), 379-391	50	2017
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings Z Gaieb, CD Parks, M Chiu, H Yang, C Shao, WP Walters, MH Lambert, ... Journal of Computer-Aided Molecular Design 33 (1), 1-18	49	2019
Models of protein–ligand crystal structures: trust, but verify MC Deller, B Rupp Journal of Computer-Aided Molecular Design 29 (9), 817-836	49	2015
Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges DD Nguyen, Z Cang, K Wu, M Wang, Y Cao, GW Wei Journal of Computer-Aided Molecular Design 33 (1), 71-82	47	2019
TargetNet: a web service for predicting potential drug–target interaction profiling via multi-target SAR models ZJ Yao, J Dong, YJ Che, MF Zhu, M Wen, NN Wang, S Wang, AP Lu, ... Journal of Computer-Aided Molecular Design 30 (5), 413-424	44	2016
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset MR Shirts, C Klein, JM Swails, J Yin, MK Gilson, DL Mobley, DA Case, ... Journal of Computer-Aided Molecular Design 31 (1), 147-161	44	2017
Overview of the SAMPL6 host–guest binding affinity prediction challenge A Rizzi, S Murkli, JN McNeill, W Yao, M Sullivan, MK Gilson, MW Chiu, ... Journal of Computer-Aided Molecular Design 32 (10), 937-963	43	2018
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds P Sidorov, H Gaspar, G Marcou, A Varnek, D Horvath Journal of Computer-Aided Molecular Design 29 (12), 1087-1108	41	2015
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set A Klamt, F Eckert, J Reinisch, K Wichmann Journal of Computer-Aided Molecular Design 30 (11), 959-967	36	2016
DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina E Di Muzio, D Toti, F Polticelli Journal of Computer-Aided Molecular Design 31 (2), 213-218	36	2017
Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge AS Rustenburg, J Dancer, B Lin, JA Feng, DF Ortwine, DL Mobley, ... Journal of Computer-Aided Molecular Design 30 (11), 945-958	36	2016

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