PubChem 2023 update von Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

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PubChem in 2021: new data content and improved web interfaces von Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

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Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review von Cheng, Tiejun, Li, Qingliang, Zhou, Zhigang, Wang, Yanli, Bryant, Stephen H.

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PubChem as a public resource for drug discovery von Li, Qingliang, Cheng, Tiejun, Wang, Yanli, Bryant, Stephen H.

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Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes von Li, Xun, Li, Yan, Cheng, Tiejun, Liu, Zhihai, Wang, Renxiao

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Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review von Cheng, Tiejun, Hao, Ming, Takeda, Takako, Bryant, Stephen H., Wang, Yanli

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PubChem applications in drug discovery: a bibliometric analysis von Cheng, Tiejun, Pan, Yongmei, Hao, Ming, Wang, Yanli, Bryant, Stephen H.

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FSelector: a Ruby gem for feature selection von TIEJUN CHENG, YANLI WANG, BRYANT, Stephen H

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Pathway Analysis for Drug Repositioning Based on Public Database Mining von Pan, Yongmei, Cheng, Tiejun, Wang, Yanli, Bryant, Stephen H

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Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection von Cheng, Tiejun, Li, Qingliang, Wang, Yanli, Bryant, Stephen H

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PUG-View: programmatic access to chemical annotations integrated in PubChem von Kim, Sunghwan, Thiessen, Paul A., Cheng, Tiejun, Zhang, Jian, Gindulyte, Asta, Bolton, Evan E.

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iCn3D: From Web-Based 3D Viewer to Structural Analysis Tool in Batch Mode von Wang, Jiyao, Youkharibache, Philippe, Marchler-Bauer, Aron, Lanczycki, Christopher, Zhang, Dachuan, Lu, Shennan, Madej, Thomas, Marchler, Gabriele H, Cheng, Tiejun, Chong, Li Chuin, Zhao, Sarah, Yang, Kevin, Lin, Jack, Cheng, Zhiyu, Dunn, Rachel, Malkaram, Sridhar Acharya, Tai, Chin-Hsien, Enoma, David, Busby, Ben, Johnson, Nicholas L, Tabaro, Francesco, Song, Guangfeng, Ge, Yuchen

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Investigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small molecules von Cheng, Tiejun, Wang, Yanli, Bryant, Stephen H.

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Web search and data mining of natural products and their bioactivities in PubChem von Hao, Ming, Cheng, Tiejun, Wang, Yanli, Bryant, H. Stephen

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Discovering and Summarizing Relationships Between Chemicals, Genes, Proteins, and Diseases in PubChem von Zaslavsky, Leonid, Cheng, Tiejun, Gindulyte, Asta, He, Siqian, Kim, Sunghwan, Li, Qingliang, Thiessen, Paul, Yu, Bo, Bolton, Evan E.

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A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction von Cheng, Tiejun, Liu, Zhihai, Wang, Renxiao

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Automatic Perception of Organic Molecules Based on Essential Structural Information von Zhao, Yuan, Cheng, Tiejun, Wang, Renxiao

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PubChem 2019 update: improved access to chemical data von Kim, Sunghwan, Chen, Jie, Cheng, Tiejun, Gindulyte, Asta, He, Jia, He, Siqian, Li, Qingliang, Shoemaker, Benjamin A, Thiessen, Paul A, Yu, Bo, Zaslavsky, Leonid, Zhang, Jian, Bolton, Evan E

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Comparative Assessment of Scoring Functions on a Diverse Test Set von Cheng, Tiejun, Li, Xun, Li, Yan, Liu, Zhihai, Wang, Renxiao

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PubChem BioAssay: 2017 update von Wang, Yanli, Bryant, Stephen H, Cheng, Tiejun, Wang, Jiyao, Gindulyte, Asta, Shoemaker, Benjamin A, Thiessen, Paul A, He, Siqian, Zhang, Jian

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