MultiCASE Platform for In Silico Toxicology

Authors: Chakravarti, Suman K., Saiakhov, Roustem D.

Source: Methods in molecular biology. 2425:497-520

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN628777250&indx=1&recIds=ETOCRN628777250

Reason Vectors: Abstract Representation of Chemistry—Biology Interaction Outcomes, for Reasoning and Prediction

Authors: Chakravarti, Suman K.

Source: JOURNAL OF CHEMICAL INFORMATION AND MODELING. 60(10):4614-4628

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632684333&indx=1&recIds=ETOCRN632684333

Chapter 16 - Fast and efficient implementation of computational toxicology solutions using the FlexFilters platform

Authors: Chakravarti, Suman K., Alla, Sai Radha Mani

Source: In QSAR in Safety Evaluation and Risk Assessment 2024:219-234

Computing similarity between structural environments of mutagenicity alerts

Authors: Chakravarti, Suman K, Saiakhov, Roustem D

Source: Mutagenesis. 34(1):55-65

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100088641935.0x000001&indx=1&recIds=ETOCvdc_100088641935.0x000001

17 - Scalable quantitative structure–activity relationship systems for predictive toxicology

Authors: Chakravarti, Suman K.

Source: In Big Data Analytics in Chemoinformatics and Bioinformatics 2023:391-405

A structural analysis of the differential cytotoxicity of chemicals in the NCI-60 cancer cell lines

Authors: Chakravarti, Suman K., Klopman, Gilles

Source: In Bioorganic & Medicinal Chemistry 2008 16(7):4052-4063

Cancer treatment

Drug for treatment of colon cancer

CANCER TREATMENT

List of contributors

Authors: Akortia, Eric, Alla, Sai Radha Mani, Alves, Vinicius M., Andrade, Carolina H., Avram, Speranta, Bao, Tong, Benfenati, Emilio, Braga, Rodolpho C., Buiu, Catalin, Chakravarti, Suman K., Chen, Jingwen, Chen, Minjun, Ciura, Krzesimir, Colombo, Erika, Cross, Kevin P., Cui, Shixuan, del Giudice, Giusy, Dong, Fan, Duchowicz, Pablo R., Egbi, Courage, Egodawatta, Prasanna, Elakkiya, Elango, Federico, Antonio, Fratello, Michele, Fu, Zhiqiang, Furuhama, Ayako, Gao, Yuchen, Garro Martinez, Juan C., Gbeddy, Gustav, Giner, Beatriz, Glover, Eric, Goonetilleke, Ashantha, Greco, Dario, Gromelski, Maciej, Gu, Yaxin, Gui, Binxin, Guo, Jing, Guo, Wenjing, He, Jiale, He, Minghui, Hong, Huixiao, Honma, Masamitsu, Huang, Shuheng, Huang, Ruili, Huang, Meiling, Jaeger, Martin, Jillella, Gopala Krishna, Johnson, Candice, Kasamatsu, Toshio, Khan, Pathan Mohsin, Koster, Sander, Kusko, Rebecca, Lee, Myeongsang, Li, Chao, Li, Fei, Li, Bohao, Li, Menglong, Li, Dongying, Li, Jinjie, Li, Xuehua, Li, Zoe, Liao, Tsung-Jen, Liu, Yuan, Liu, Huihui, Liu, Jie, Liu, Wenjia, Lomba, Laura, Lou, Chaofeng, Ma, Guangcai, Manganelli, Serena, Mei, Hu, Mendonca, Sabrina S., Mizuno, Tadahaya, Myatt, Glenn J., Ngan, Deborah K., Ning, Baitang, Pandit, Shraddha, Parthasarathi, Ramakrishnan, Patterson, Tucker A., Pavel, Alisa, Prabhu, Paulraj, Puzyn, Tomasz, Qu, Jiao, Roncaglioni, Alessandra, Roy, Kunal, Saarimäki, Laura Aliisa, Saavedra, Laura M., Sanches, Igor H., Schilter, Benoit, Selvaraj, Chandrabose, Serra, Angela, Shi, Wei, Singh, Prakrity, Singh, Sanjeev Kumar, Sogor, Catalina, Song, Meng, Sosnowska, Anita, Su, Limin, Sugiyama, Kei-ichi, Swirog, Marta, Tang, Yun, Teng, Yuefa, Tong, Weida, Tropsha, Alexander, Udrea, Ana-Maria, Velmurugan, Devadasan, Voigt, Melanie, Wang, Haobo, Wang, Xiaoqing, Wang, Zhongyu, Wang, Xueyu, Wei, Xiaoxuan, Wen, Zhining, Wu, Yiqu, Wyrzykowska, Ewelina, Xiao, Fang, Xie, Hong-Bin, Xu, Tuan, Xu, Liang, Yang, Xianhai, Yu, Haiying, Zhang, Yuxuan, Zhang, Jiachen, Zhao, Jingwen, Zhao, Yuanhui, Zhu, Minghua, Zhuang, Shulin, Zou, Wen

Source: In QSAR in Safety Evaluation and Risk Assessment 2023:xv-xviii

List of contributors

Authors: Agarwal, Anshika, Albogami, Sarah, Bairagi, Nandadulal, Balasubramanian, Krishnan, Basak, Subhash C., Benfenati, Emilio, Bhattacharjee, Apurba K., Bhrdwaj, Anushka, Chakravarti, Suman K., Chattaraj, Pratim Kumar, Chatterjee, Samrat, Davuluri, Ramana V., Dey, Tathagata, Ghosh, Abhik, Ghosh, Indira, Gini, Giuseppina, Hazarika, Lima, Hu, Guang, Hung, Chiakang, Hussain, Tajamul, Ji, Yanrong, Joshi, Isha, Khan, Taushif, Khandelwal, Ravina, Kumar, Pawan, Kumar, Shivam, Li, Min, Liao, Jie, Lungu, Claudiu N., Majumdar, Subhabrata, Mishra, Rama K., Mohan, Manju, Nandy, Ashesh, Nayarisseri, Anuraj, Nilar, Shahul H., Pal, Ranita, Pande, Aditi, Restrepo, Guillermo, Sarmah, Dipanka Tanu, Sen, Dwaipayan, Singh, Sanjeev Kumar, Srija, Chillamcherla Dhanalakshmi, Suresh, Revathy Arya, Tang, Muyun, Thakur, Garima, Tong, Xin, Vracko, Marjan, Vračko, Marjan, Wang, Ze, Xu, DanDan, Yang, Guang-Yu

Source: In Big Data Analytics in Chemoinformatics and Bioinformatics 2023:xv-xviii

Structure–activity relationship study of a diverse set of estrogen receptor ligands (I) using MultiCASE expert system

Authors: Klopman, Gilles, Chakravarti, Suman K.

Source: In Chemosphere 2003 51(6):445-459

Screening of high production volume chemicals for estrogen receptor binding activity (II) by the MultiCASE expert system

Authors: Klopman, Gilles, Chakravarti, Suman K

Source: In Chemosphere 2003 51(6):461-468

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Computing similarity between structural environments of mutagenicity alerts.

Authors: Chakravarti, Suman K¹ (AUTHOR) chakravarti@multicase.com, Saiakhov, Roustem D¹ (AUTHOR)

Source: Mutagenesis. Jan2019, Vol. 34 Issue 1, p55-65. 11p.

Subject Terms: *NATURE & nurture, *RESEMBLANCE (Philosophy)

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Optimizing PredictivePerformance of CASE Ultra ExpertSystem Models Using the Applicability Domains of Individual ToxicityAlerts.

Authors: Chakravarti, Suman K.¹, Saiakhov, RoustemD.¹, Klopman, Gilles¹

Source: Journal of Chemical Information & Modeling; Oct2012, Vol. 52 Issue 10, p2609-2618, 10p