19 papers · ranked by Valyu relevance
Yiming Zhang, Jun Jin Choong, Keisuke Ozawa
The process of lead optimization in drug discovery is a complex, multi-objective challenge that remains a major bottleneck in the development of new therapeutics. Traditional approaches often struggle to efficiently explore the vast chemical space while simultaneously optimizing multiple, and sometimes conflicting…
Yiming Zhang, Jun Jin Choong, Kaushalya Madhawa, Keisuke Ozawa
The process of lead optimization in drug discovery is a complex, multi-objective challenge that remains a major bottleneck in the development of new therapeutics. Traditional approaches often struggle to efficiently explore the vast chemical space while simultaneously optimizing multiple, and sometimes conflicting…
Eli Bixby, Gino Brunner, Daniel Danciu, Richard Dela Rosa + 19 more
Lead optimization remains the longest and most expensive step in pre-clinical drug discovery, typically consuming 12–36 months whilst costing $5M–$15M per candidate. We introduce ‘cradle-1’, an automated framework for protein engineering. While cradle-1 supports the full process of drug discovery and industrial protein…
Mohammad Saleh Refahi, Milad Toutounchian, Bahrad A. Sokhansanj, Hyunwoo Yoo + 3 more
Target-conditioned molecular design requires optimizing binding affinity to a proposed therapeutic protein target while balancing competing developability constraints (e.g., absorption, distribution, metabolism, excretion, and toxicity; ADMET). Yet many computational pipelines either optimize a single objective or rely…
Authors not listed
Several influential studies published around the turn of the millennium reported that advancing a lead compound to a drug tended to involve certain predictable changes in molecular properties, most notably marked increases in molecular weight (MW) and in lipophilicity. To assess how lead optimization practices have…
Sandhya Rani Gaddam, Sarada Jayan, Pentakota Ravi, Bilal Alatas + 1 more
'Anand Paul'] Lead generation is the process of gaining potential customers’ interest to increase future sales, and it is an essential part of many businesses’ (amusement parks, theme parks, clubs, etc.) sales processes as their membership is more expensive. The main objective of these businesses is to increase the…
Laura González-Flores, Jessica Rubiano-Moreno, Guillermo Sosa-Gómez
In business-to-business (B2B) companies, marketing and sales teams face significant challenges in identifying, qualifying, and prioritizing a large number of leads. Lead prioritization is a critical task for B2B organizations because it allows them to allocate resources more effectively, focus their sales force on the…
Brenda M. Wang, Nicole Chiang, Holly M. Ekas, Dylan M. Brown + 9 more
Point-of-use diagnostics based on allosteric transcription factors (aTFs) are promising tools for environmental monitoring and human health. However, biosensors relying on natural aTFs rarely exhibit the sensitivity and selectivity needed for real-world applications, and traditional directed evolution struggles to…
Junchi Yan, Min Gong, Changhua Sun, Jin Huang + 1 more
Junchi Yan IBM Research - China Shanghai, China 201203 yanjc@cn.ibm.com Min Gong IBM Research - China Shanghai, China 201203 gminsh@cn.ibm.com Changhua Sun IBM Research - China Beijing, China 100193 schangh@cn.ibm.com Jin Huang IBM Research - China Shanghai, China 201203 huangjsh@cn.ibm.com Stephen M. Chu IBM Research…
Mahsa Sahebdel, Ali Zeynali, Noman Bashir, Prashant Shenoy + 1 more
Platforms Authors: ['Mahsa Sahebdel' 'Ali Zeynali' 'Noman Bashir' 'Prashant Shenoy' 'Mohammad Hajiesmaili'] Ridesharing platforms such as Uber, Lyft, and DiDi have grown in popularity due to their on-demand availability, ease of use, and commute cost reductions, among other benefits. However, not all ridesharing…
Benjamin F Trueman, Wendy H Krkošek, Graham A Gagnon
Orthophosphate can limit lead contamination of tap water, but its benefits are difficult to quantify since lead concentrations are so site-specific. Sentinel homes serviced by lead pipe are ideal for monitoring orthophosphate treatment, but best practices dictate the removal of lead once identified. The best sentinel…
Cornelius Hake, Jonas Weigele, Frederik Reichert, Christian Friedrich
in Non-Cycled Areas of Automotive Production Authors: ['Cornelius Hake' 'Jonas Weigele' 'Frederik Reichert' 'Christian Friedrich'] The present study examines the effectiveness of applying Artificial Intelligence methods in an automotive production environment to predict unknown lead times in a non-cycle-controlled…
PETER CARDEW, Keith Gregory, Adam Lechmere
In order to meet the EU requirement of compliance with the 10 µg/l lead standard utility companies in England and Wales implemented a large-scale plumbosolvency treatment programme based around the addition of orthophosphate. This was largely delivered by the end of 2003. This solution has resulted in a major…
Suvendu Jena, Jilei Yang, Fangfang Tan
B2B sales requires effective prediction of customer growth, identification of upsell potential, and mitigation of churn risks. LinkedIn sales representatives traditionally relied on intuition and fragmented data signals to assess customer performance. This resulted in significant time investment in data understanding…
Pablo Quijano Velasco, Kedar Hippalgaonkar, Balamurugan Ramalingam
The discovery of optimal conditions of chemical reactions is a labor-intensive, time-consuming task that requires exploring a high-dimensional parametric space. Historically the optimization of chemical reactions has been performed by manual experimentation guided by human intuition and Design of Experiments where one…
Benjamin F Trueman, Aaron Bleasdale-Pollowy, Javier A Locsin, Jessica L Bennett + 2 more
Monitoring lead in drinking water is important for public health, but seasonality in lead concentrations can bias monitoring programs if it is not understood and accounted for. Here, we describe an apparent seasonal pattern in lead release to orthophosphate-treated drinking water, identified through point-of-use…
Recep Yusuf Bekci, Yacine Mahdid, Jinling Xing, Nikita Letov + 2 more
'Ying Zhang' 'Zahid Pasha'] In this study, we utilize Gaussian processes, probabilistic neural network, natural gradient boosting, and quantile regression augmented gradient boosting to model lead times of laser manufacturing processes. We introduce probabilistic modelling in the domain and compare the models in terms…
Benjamin F Trueman, Aaron Bleasdale-Pollowy, Javier A Locsin, Jessica L Bennett + 2 more
Lead is a neurotoxin and an environmental contaminant. Many jurisdictions require that it be monitored in drinking water, especially where lead plumbing remains in use. But seasonal variation in lead concentrations can bias monitoring programs if it is not understood and accounted for. Here, we describe an unexpected…
Layla Fattah, Lisa Bloom, Cara Della Ventura, Janice Gabrilove
The LEAD Program was designed to deliver a structured 12-month blended learning experience for junior faculty. The design of our LEAD program was initially informed by a leadership program developed at the University of Texas Southwestern Center for Translational Medicine. Our subsequent adapted program was…